N-[(3R,5S)-5-(ethylcarbamoyl)-1-(pyrazine-2-carbonyl)pyrrolidin-3-yl]-1H-pyrazole-5-carboxamide

C16H19N7O3 — CID 72917004

IUPACN-[(3R,5S)-5-(ethylcarbamoyl)-1-(pyrazine-2-carbonyl)pyrrolidin-3-yl]-1H-pyrazole-5-carboxamide
SMILESCCNC(=O)[C@@H]1C[C@@H](NC(=O)c2ccn[nH]2)CN1C(=O)c1cnccn1
InChIInChI=1S/C16H19N7O3/c1-2-18-15(25)13-7-10(21-14(24)11-3-4-20-22-11)9-23(13)16(26)12-8-17-5-6-19-12/h3-6,8,10,13H,2,7,9H2,1H3,(H,18,25)(H,20,22)(H,21,24)/t10-,13+/m1/s1
InChIKeyRZVYAQIDBQYZFS-MFKMUULPSA-N
MW357.37 g/mol
LogP-0.65
Rot. Bonds5

About N-[(3R,5S)-5-(ethylcarbamoyl)-1-(pyrazine-2-carbonyl)pyrrolidin-3-yl]-1H-pyrazole-5-carboxamide

N-[(3R,5S)-5-(ethylcarbamoyl)-1-(pyrazine-2-carbonyl)pyrrolidin-3-yl]-1H-pyrazole-5-carboxamide (PubChem CID 72917004) has the molecular formula C16H19N7O3 and a molecular weight of 357.37 g/mol. Its IUPAC name is N-[(3R,5S)-5-(ethylcarbamoyl)-1-(pyrazine-2-carbonyl)pyrrolidin-3-yl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3R,5S)-5-(ethylcarbamoyl)-1-(pyrazine-2-carbonyl)pyrrolidin-3-yl]-1H-pyrazole-5-carboxamide
PubChem CID72917004
Molecular FormulaC16H19N7O3
Molecular Weight357.37 g/mol
Exact Mass357.15
IUPAC NameN-[(3R,5S)-5-(ethylcarbamoyl)-1-(pyrazine-2-carbonyl)pyrrolidin-3-yl]-1H-pyrazole-5-carboxamide
SMILESCCNC(=O)[C@@H]1C[C@@H](NC(=O)c2ccn[nH]2)CN1C(=O)c1cnccn1
InChIInChI=1S/C16H19N7O3/c1-2-18-15(25)13-7-10(21-14(24)11-3-4-20-22-11)9-23(13)16(26)12-8-17-5-6-19-12/h3-6,8,10,13H,2,7,9H2,1H3,(H,18,25)(H,20,22)(H,21,24)/t10-,13+/m1/s1
InChIKeyRZVYAQIDBQYZFS-MFKMUULPSA-N
XLogP-0.65
TPSA132.97 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 5-0.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[(3R,5S)-5-(ethylcarbamoyl)-1-(pyrazine-2-carbonyl)pyrrolidin-3-yl]-1H-pyrazole-5-carboxamide with MolForge

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Related Compounds

N-[(3S,5S)-1-(3-ethoxypropanoyl)-5-(ethylcarbamoyl)pyrrolidin-3-yl]pyrazine-2-carboxamide
CID 72908397
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CID 72868430
N-[(3S,5S)-5-(ethylcarbamoyl)-1-(furan-2-carbonyl)pyrrolidin-3-yl]-4-methylpyrimidine-5-carboxamide
CID 72861682
N-(azetidin-3-yl)-1H-pyrazole-5-carboxamide
CID 66187687
N-[(3S,5S)-5-(diethylcarbamoyl)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-1H-pyrazole-5-carboxamide
CID 72852892
(2S,4R)-N,N-diethyl-4-[(2-propan-2-yloxyacetyl)amino]-1-(1H-pyrazole-5-carbonyl)pyrrolidine-2-carboxamide
CID 72846828
N-[(3R)-piperidin-3-yl]-1H-pyrazole-5-carboxamide
CID 104645486
N-[4-(propylamino)cyclohexyl]-1H-pyrazole-5-carboxamide
CID 63085249
N-piperidin-4-yl-1H-pyrazole-5-carboxamide
CID 62050322
(2R,4S)-N-(2-amino-2-oxoethyl)-4-(cyclohexylcarbamoylamino)-N-methyl-1-(pyrazine-2-carbonyl)pyrrolidine-2-carboxamide
CID 162860064
(2S,4S)-N-ethyl-1-(3-methylsulfanylpropanoyl)-4-[(2-pyridin-3-ylacetyl)amino]pyrrolidine-2-carboxamide
CID 72935961
1-(cyclobutanecarbonyl)-N-ethyl-4-[(5-ethylthiophene-2-carbonyl)amino]pyrrolidine-2-carboxamide
CID 156606944

Frequently Asked Questions

What is the IUPAC name of N-[(3R,5S)-5-(ethylcarbamoyl)-1-(pyrazine-2-carbonyl)pyrrolidin-3-yl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(3R,5S)-5-(ethylcarbamoyl)-1-(pyrazine-2-carbonyl)pyrrolidin-3-yl]-1H-pyrazole-5-carboxamide (CID 72917004) is N-[(3R,5S)-5-(ethylcarbamoyl)-1-(pyrazine-2-carbonyl)pyrrolidin-3-yl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(3R,5S)-5-(ethylcarbamoyl)-1-(pyrazine-2-carbonyl)pyrrolidin-3-yl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(3R,5S)-5-(ethylcarbamoyl)-1-(pyrazine-2-carbonyl)pyrrolidin-3-yl]-1H-pyrazole-5-carboxamide is CCNC(=O)[C@@H]1C[C@@H](NC(=O)c2ccn[nH]2)CN1C(=O)c1cnccn1.
What is the InChIKey of N-[(3R,5S)-5-(ethylcarbamoyl)-1-(pyrazine-2-carbonyl)pyrrolidin-3-yl]-1H-pyrazole-5-carboxamide?
The InChIKey is RZVYAQIDBQYZFS-MFKMUULPSA-N. The full InChI is InChI=1S/C16H19N7O3/c1-2-18-15(25)13-7-10(21-14(24)11-3-4-20-22-11)9-23(13)16(26)12-8-17-5-6-19-12/h3-6,8,10,13H,2,7,9H2,1H3,(H,18,25)(H,20,22)(H,21,24)/t10-,13+/m1/s1.
What are the key properties of N-[(3R,5S)-5-(ethylcarbamoyl)-1-(pyrazine-2-carbonyl)pyrrolidin-3-yl]-1H-pyrazole-5-carboxamide?
N-[(3R,5S)-5-(ethylcarbamoyl)-1-(pyrazine-2-carbonyl)pyrrolidin-3-yl]-1H-pyrazole-5-carboxamide has a molecular weight of 357.37 g/mol, XLogP of -0.65, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,5S)-5-(ethylcarbamoyl)-1-(pyrazine-2-carbonyl)pyrrolidin-3-yl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 72917004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).