N-[(3R,5S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-5-(ethylcarbamoyl)pyrrolidin-3-yl]-5-methyl-1H-pyrazole-3-carboxamide

C18H27N7O2 — CID 72855563

IUPACN-[(3R,5S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-5-(ethylcarbamoyl)pyrrolidin-3-yl]-5-methyl-1H-pyrazole-3-carboxamide
SMILESCCNC(=O)[C@@H]1C[C@@H](NC(=O)c2cc(C)[nH]n2)CN1Cc1cnn(C)c1C
InChIInChI=1S/C18H27N7O2/c1-5-19-18(27)16-7-14(21-17(26)15-6-11(2)22-23-15)10-25(16)9-13-8-20-24(4)12(13)3/h6,8,14,16H,5,7,9-10H2,1-4H3,(H,19,27)(H,21,26)(H,22,23)/t14-,16+/m1/s1
InChIKeyZJEXVYFWRTZICC-ZBFHGGJFSA-N
MW373.46 g/mol
LogP0.27
Rot. Bonds6

About N-[(3R,5S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-5-(ethylcarbamoyl)pyrrolidin-3-yl]-5-methyl-1H-pyrazole-3-carboxamide

N-[(3R,5S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-5-(ethylcarbamoyl)pyrrolidin-3-yl]-5-methyl-1H-pyrazole-3-carboxamide (PubChem CID 72855563) has the molecular formula C18H27N7O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is N-[(3R,5S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-5-(ethylcarbamoyl)pyrrolidin-3-yl]-5-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3R,5S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-5-(ethylcarbamoyl)pyrrolidin-3-yl]-5-methyl-1H-pyrazole-3-carboxamide
PubChem CID72855563
Molecular FormulaC18H27N7O2
Molecular Weight373.46 g/mol
Exact Mass373.22
IUPAC NameN-[(3R,5S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-5-(ethylcarbamoyl)pyrrolidin-3-yl]-5-methyl-1H-pyrazole-3-carboxamide
SMILESCCNC(=O)[C@@H]1C[C@@H](NC(=O)c2cc(C)[nH]n2)CN1Cc1cnn(C)c1C
InChIInChI=1S/C18H27N7O2/c1-5-19-18(27)16-7-14(21-17(26)15-6-11(2)22-23-15)10-25(16)9-13-8-20-24(4)12(13)3/h6,8,14,16H,5,7,9-10H2,1-4H3,(H,19,27)(H,21,26)(H,22,23)/t14-,16+/m1/s1
InChIKeyZJEXVYFWRTZICC-ZBFHGGJFSA-N
XLogP0.27
TPSA107.94 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3R,5S)-5-(ethylcarbamoyl)-1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]-1-methylpyrazole-3-carboxamide
CID 72935005
5-ethyl-N-[(3S,5S)-5-(ethylcarbamoyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]-4-methyl-1H-pyrazole-3-carboxamide
CID 72921865
N-[(3S,5S)-5-(ethylcarbamoyl)-1-(furan-3-ylmethyl)pyrrolidin-3-yl]-2,6-dimethylpyrimidine-4-carboxamide
CID 72919904
N-[(3R,5S)-1-[(2-amino-3-pyridinyl)methyl]-5-(ethylcarbamoyl)pyrrolidin-3-yl]-2-methyl-1H-pyrrole-3-carboxamide
CID 72902303
N-[(3S,5S)-1-(cyclopropylmethyl)-5-(ethylcarbamoyl)pyrrolidin-3-yl]-5-methyl-1H-imidazole-2-carboxamide
CID 72856018
N-[(3R,5S)-5-(ethylcarbamoyl)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-2-methyl-1,3-thiazole-4-carboxamide
CID 72890602
N-[(3R,5S)-5-(ethylcarbamoyl)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]-6-oxo-1H-pyridine-3-carboxamide
CID 72865561
N-[(3S,5S)-5-(ethylcarbamoyl)-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-yl]-2-methylpyrimidine-5-carboxamide
CID 72933843
N-cyclobutyl-5-methyl-1H-pyrazole-3-carboxamide
CID 126857183
N-[(3S,5S)-1-(3-ethoxypropanoyl)-5-(ethylcarbamoyl)pyrrolidin-3-yl]pyrazine-2-carboxamide
CID 72908397
(2S,4S)-N-ethyl-4-[(5-methylthiophene-3-carbonyl)amino]-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 72842223
N-[(3R,5S)-5-(ethylcarbamoyl)-1-(2-phenylethyl)pyrrolidin-3-yl]-5-methyl-1,2-oxazole-4-carboxamide
CID 72907535

Frequently Asked Questions

What is the IUPAC name of N-[(3R,5S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-5-(ethylcarbamoyl)pyrrolidin-3-yl]-5-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[(3R,5S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-5-(ethylcarbamoyl)pyrrolidin-3-yl]-5-methyl-1H-pyrazole-3-carboxamide (CID 72855563) is N-[(3R,5S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-5-(ethylcarbamoyl)pyrrolidin-3-yl]-5-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[(3R,5S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-5-(ethylcarbamoyl)pyrrolidin-3-yl]-5-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[(3R,5S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-5-(ethylcarbamoyl)pyrrolidin-3-yl]-5-methyl-1H-pyrazole-3-carboxamide is CCNC(=O)[C@@H]1C[C@@H](NC(=O)c2cc(C)[nH]n2)CN1Cc1cnn(C)c1C.
What is the InChIKey of N-[(3R,5S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-5-(ethylcarbamoyl)pyrrolidin-3-yl]-5-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is ZJEXVYFWRTZICC-ZBFHGGJFSA-N. The full InChI is InChI=1S/C18H27N7O2/c1-5-19-18(27)16-7-14(21-17(26)15-6-11(2)22-23-15)10-25(16)9-13-8-20-24(4)12(13)3/h6,8,14,16H,5,7,9-10H2,1-4H3,(H,19,27)(H,21,26)(H,22,23)/t14-,16+/m1/s1.
What are the key properties of N-[(3R,5S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-5-(ethylcarbamoyl)pyrrolidin-3-yl]-5-methyl-1H-pyrazole-3-carboxamide?
N-[(3R,5S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-5-(ethylcarbamoyl)pyrrolidin-3-yl]-5-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 373.46 g/mol, XLogP of 0.27, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,5S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-5-(ethylcarbamoyl)pyrrolidin-3-yl]-5-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 72855563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).