5-ethyl-N-[(3R,4S)-4-hydroxy-1-(4-methyl-1H-pyrazole-5-carbonyl)pyrrolidin-3-yl]-1-methylpyrazole-4-carboxamide

C16H22N6O3 — CID 166320817

IUPAC5-ethyl-N-[(3R,4S)-4-hydroxy-1-(4-methyl-1H-pyrazole-5-carbonyl)pyrrolidin-3-yl]-1-methylpyrazole-4-carboxamide
SMILESCCc1c(C(=O)N[C@@H]2CN(C(=O)c3[nH]ncc3C)C[C@@H]2O)cnn1C
InChIInChI=1S/C16H22N6O3/c1-4-12-10(6-18-21(12)3)15(24)19-11-7-22(8-13(11)23)16(25)14-9(2)5-17-20-14/h5-6,11,13,23H,4,7-8H2,1-3H3,(H,17,20)(H,19,24)/t11-,13+/m1/s1
InChIKeyTWCHRMJDKBGPJX-YPMHNXCESA-N
MW346.39 g/mol
LogP-0.37
Rot. Bonds4

About 5-ethyl-N-[(3R,4S)-4-hydroxy-1-(4-methyl-1H-pyrazole-5-carbonyl)pyrrolidin-3-yl]-1-methylpyrazole-4-carboxamide

5-ethyl-N-[(3R,4S)-4-hydroxy-1-(4-methyl-1H-pyrazole-5-carbonyl)pyrrolidin-3-yl]-1-methylpyrazole-4-carboxamide (PubChem CID 166320817) has the molecular formula C16H22N6O3 and a molecular weight of 346.39 g/mol. Its IUPAC name is 5-ethyl-N-[(3R,4S)-4-hydroxy-1-(4-methyl-1H-pyrazole-5-carbonyl)pyrrolidin-3-yl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-[(3R,4S)-4-hydroxy-1-(4-methyl-1H-pyrazole-5-carbonyl)pyrrolidin-3-yl]-1-methylpyrazole-4-carboxamide
PubChem CID166320817
Molecular FormulaC16H22N6O3
Molecular Weight346.39 g/mol
Exact Mass346.18
IUPAC Name5-ethyl-N-[(3R,4S)-4-hydroxy-1-(4-methyl-1H-pyrazole-5-carbonyl)pyrrolidin-3-yl]-1-methylpyrazole-4-carboxamide
SMILESCCc1c(C(=O)N[C@@H]2CN(C(=O)c3[nH]ncc3C)C[C@@H]2O)cnn1C
InChIInChI=1S/C16H22N6O3/c1-4-12-10(6-18-21(12)3)15(24)19-11-7-22(8-13(11)23)16(25)14-9(2)5-17-20-14/h5-6,11,13,23H,4,7-8H2,1-3H3,(H,17,20)(H,19,24)/t11-,13+/m1/s1
InChIKeyTWCHRMJDKBGPJX-YPMHNXCESA-N
XLogP-0.37
TPSA116.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

5-ethyl-1-methylpyrazole-4-carbohydrazide;hydrochloride
CID 130616096
1-(5-ethyl-1-methylpyrazol-4-yl)ethanone
CID 23005694
5-ethyl-1-methylpyrazole-4-carboxylic acid;hydrochloride
CID 54594161
2-[(5-ethyl-1-methylpyrazole-4-carbonyl)amino]propanoic acid
CID 115731144
(2S)-2-[(5-ethyl-1-methylpyrazole-4-carbonyl)amino]propanoic acid
CID 103790993
N-cyclopropyl-4-methyl-1H-pyrazole-5-carboxamide
CID 110847961
(4-methyl-1H-pyrazol-5-yl)-(1,3-thiazolidin-3-yl)methanone
CID 130660375
(4-methyl-1H-pyrazol-5-yl)-[4-(2,2,2-trifluoroethyl)piperidin-1-yl]methanone
CID 126798384
(4-amino-1H-pyrazol-5-yl)-(3,4-dimethylpiperazin-1-yl)methanone
CID 63605171
N-(4-ethyl-1H-pyrazol-5-yl)-1,5-dimethylpyrazole-4-carboxamide
CID 112697383
1-tert-butyl-5-ethyl-N-(2-methylpiperidin-3-yl)pyrazole-4-carboxamide;hydrochloride
CID 120575921
5-[3-(4-methyl-1H-pyrazole-5-carbonyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]-1,3,4-thiadiazole-2-carboxamide
CID 154855545

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[(3R,4S)-4-hydroxy-1-(4-methyl-1H-pyrazole-5-carbonyl)pyrrolidin-3-yl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of 5-ethyl-N-[(3R,4S)-4-hydroxy-1-(4-methyl-1H-pyrazole-5-carbonyl)pyrrolidin-3-yl]-1-methylpyrazole-4-carboxamide (CID 166320817) is 5-ethyl-N-[(3R,4S)-4-hydroxy-1-(4-methyl-1H-pyrazole-5-carbonyl)pyrrolidin-3-yl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for 5-ethyl-N-[(3R,4S)-4-hydroxy-1-(4-methyl-1H-pyrazole-5-carbonyl)pyrrolidin-3-yl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for 5-ethyl-N-[(3R,4S)-4-hydroxy-1-(4-methyl-1H-pyrazole-5-carbonyl)pyrrolidin-3-yl]-1-methylpyrazole-4-carboxamide is CCc1c(C(=O)N[C@@H]2CN(C(=O)c3[nH]ncc3C)C[C@@H]2O)cnn1C.
What is the InChIKey of 5-ethyl-N-[(3R,4S)-4-hydroxy-1-(4-methyl-1H-pyrazole-5-carbonyl)pyrrolidin-3-yl]-1-methylpyrazole-4-carboxamide?
The InChIKey is TWCHRMJDKBGPJX-YPMHNXCESA-N. The full InChI is InChI=1S/C16H22N6O3/c1-4-12-10(6-18-21(12)3)15(24)19-11-7-22(8-13(11)23)16(25)14-9(2)5-17-20-14/h5-6,11,13,23H,4,7-8H2,1-3H3,(H,17,20)(H,19,24)/t11-,13+/m1/s1.
What are the key properties of 5-ethyl-N-[(3R,4S)-4-hydroxy-1-(4-methyl-1H-pyrazole-5-carbonyl)pyrrolidin-3-yl]-1-methylpyrazole-4-carboxamide?
5-ethyl-N-[(3R,4S)-4-hydroxy-1-(4-methyl-1H-pyrazole-5-carbonyl)pyrrolidin-3-yl]-1-methylpyrazole-4-carboxamide has a molecular weight of 346.39 g/mol, XLogP of -0.37, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[(3R,4S)-4-hydroxy-1-(4-methyl-1H-pyrazole-5-carbonyl)pyrrolidin-3-yl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 166320817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).