(3R,4S)-1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-4-(1,5-dimethylpyrazol-4-yl)pyrrolidine-3-carboxamide

C19H30N6O — CID 167752897

IUPAC(3R,4S)-1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-4-(1,5-dimethylpyrazol-4-yl)pyrrolidine-3-carboxamide
SMILESCCc1nn(C)c(CC)c1CN1C[C@H](C(N)=O)[C@@H](c2cnn(C)c2C)C1
InChIInChI=1S/C19H30N6O/c1-6-17-16(18(7-2)24(5)22-17)11-25-9-14(15(10-25)19(20)26)13-8-21-23(4)12(13)3/h8,14-15H,6-7,9-11H2,1-5H3,(H2,20,26)/t14-,15+/m1/s1
InChIKeyUXUAHWPESGQIIH-CABCVRRESA-N
MW358.49 g/mol
LogP1.29
Rot. Bonds6

About (3R,4S)-1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-4-(1,5-dimethylpyrazol-4-yl)pyrrolidine-3-carboxamide

(3R,4S)-1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-4-(1,5-dimethylpyrazol-4-yl)pyrrolidine-3-carboxamide (PubChem CID 167752897) has the molecular formula C19H30N6O and a molecular weight of 358.49 g/mol. Its IUPAC name is (3R,4S)-1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-4-(1,5-dimethylpyrazol-4-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R,4S)-1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-4-(1,5-dimethylpyrazol-4-yl)pyrrolidine-3-carboxamide
PubChem CID167752897
Molecular FormulaC19H30N6O
Molecular Weight358.49 g/mol
Exact Mass358.25
IUPAC Name(3R,4S)-1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-4-(1,5-dimethylpyrazol-4-yl)pyrrolidine-3-carboxamide
SMILESCCc1nn(C)c(CC)c1CN1C[C@H](C(N)=O)[C@@H](c2cnn(C)c2C)C1
InChIInChI=1S/C19H30N6O/c1-6-17-16(18(7-2)24(5)22-17)11-25-9-14(15(10-25)19(20)26)13-8-21-23(4)12(13)3/h8,14-15H,6-7,9-11H2,1-5H3,(H2,20,26)/t14-,15+/m1/s1
InChIKeyUXUAHWPESGQIIH-CABCVRRESA-N
XLogP1.29
TPSA81.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3R,4S)-1-[(3-cyclopropylphenyl)methyl]-4-(1,5-dimethylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 154800374
(3R,4S)-4-(1,5-dimethylpyrazol-4-yl)-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrolidine-3-carboxamide
CID 154800186
(3R,4S)-4-(1,5-dimethylpyrazol-4-yl)-1-[(2-propan-2-yloxyphenyl)methyl]pyrrolidine-3-carboxamide
CID 167987924
(3S,4S)-1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 154756985
(3R,4S)-4-(1,5-dimethylpyrazol-4-yl)-1-[1-(ethoxymethyl)cyclopropanecarbonyl]pyrrolidine-3-carboxamide
CID 167843838
1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrolidine-3,4-diol
CID 106672188
(3R,4S)-1-[(2-ethyl-1,3-thiazol-5-yl)methyl]-4-phenylpyrrolidine-3-carboxamide
CID 138055711
trans-(1R,2S)-2-(1,5-dimethylpyrazol-4-yl)cyclopropan-1-amine
CID 91647637
trans-(1S,2R)-2-(1,5-dimethylpyrazol-4-yl)cyclopropan-1-amine
CID 124512028
(3S,4S)-1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-methylpyrrolidine-3-carboxamide;hydroiodide
CID 128982989
[(3R,4S)-4-(1,5-dimethylpyrazol-4-yl)-1-(2-hydroxyethyl)piperidin-3-yl]-phenylmethanone
CID 173119660
2-(1,5-dimethylpyrazol-4-yl)cyclopropan-1-amine;dihydrochloride
CID 122198975

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-4-(1,5-dimethylpyrazol-4-yl)pyrrolidine-3-carboxamide?
The IUPAC name of (3R,4S)-1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-4-(1,5-dimethylpyrazol-4-yl)pyrrolidine-3-carboxamide (CID 167752897) is (3R,4S)-1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-4-(1,5-dimethylpyrazol-4-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R,4S)-1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-4-(1,5-dimethylpyrazol-4-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3R,4S)-1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-4-(1,5-dimethylpyrazol-4-yl)pyrrolidine-3-carboxamide is CCc1nn(C)c(CC)c1CN1C[C@H](C(N)=O)[C@@H](c2cnn(C)c2C)C1.
What is the InChIKey of (3R,4S)-1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-4-(1,5-dimethylpyrazol-4-yl)pyrrolidine-3-carboxamide?
The InChIKey is UXUAHWPESGQIIH-CABCVRRESA-N. The full InChI is InChI=1S/C19H30N6O/c1-6-17-16(18(7-2)24(5)22-17)11-25-9-14(15(10-25)19(20)26)13-8-21-23(4)12(13)3/h8,14-15H,6-7,9-11H2,1-5H3,(H2,20,26)/t14-,15+/m1/s1.
What are the key properties of (3R,4S)-1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-4-(1,5-dimethylpyrazol-4-yl)pyrrolidine-3-carboxamide?
(3R,4S)-1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-4-(1,5-dimethylpyrazol-4-yl)pyrrolidine-3-carboxamide has a molecular weight of 358.49 g/mol, XLogP of 1.29, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-4-(1,5-dimethylpyrazol-4-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 167752897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).