5-ethyl-N-[(3S,5S)-5-(ethylcarbamoyl)-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]-1H-pyrazole-3-carboxamide

C18H25N5O2S — CID 72882666

IUPAC5-ethyl-N-[(3S,5S)-5-(ethylcarbamoyl)-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]-1H-pyrazole-3-carboxamide
SMILESCCNC(=O)[C@@H]1C[C@H](NC(=O)c2cc(CC)[nH]n2)CN1Cc1ccsc1
InChIInChI=1S/C18H25N5O2S/c1-3-13-7-15(22-21-13)17(24)20-14-8-16(18(25)19-4-2)23(10-14)9-12-5-6-26-11-12/h5-7,11,14,16H,3-4,8-10H2,1-2H3,(H,19,25)(H,20,24)(H,21,22)/t14-,16-/m0/s1
InChIKeySTFQTTILURZGJN-HOCLYGCPSA-N
MW375.50 g/mol
LogP1.54
Rot. Bonds7

About 5-ethyl-N-[(3S,5S)-5-(ethylcarbamoyl)-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]-1H-pyrazole-3-carboxamide

5-ethyl-N-[(3S,5S)-5-(ethylcarbamoyl)-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]-1H-pyrazole-3-carboxamide (PubChem CID 72882666) has the molecular formula C18H25N5O2S and a molecular weight of 375.50 g/mol. Its IUPAC name is 5-ethyl-N-[(3S,5S)-5-(ethylcarbamoyl)-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-[(3S,5S)-5-(ethylcarbamoyl)-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]-1H-pyrazole-3-carboxamide
PubChem CID72882666
Molecular FormulaC18H25N5O2S
Molecular Weight375.50 g/mol
Exact Mass375.17
IUPAC Name5-ethyl-N-[(3S,5S)-5-(ethylcarbamoyl)-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]-1H-pyrazole-3-carboxamide
SMILESCCNC(=O)[C@@H]1C[C@H](NC(=O)c2cc(CC)[nH]n2)CN1Cc1ccsc1
InChIInChI=1S/C18H25N5O2S/c1-3-13-7-15(22-21-13)17(24)20-14-8-16(18(25)19-4-2)23(10-14)9-12-5-6-26-11-12/h5-7,11,14,16H,3-4,8-10H2,1-2H3,(H,19,25)(H,20,24)(H,21,22)/t14-,16-/m0/s1
InChIKeySTFQTTILURZGJN-HOCLYGCPSA-N
XLogP1.54
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.50
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[(3S,5S)-5-(ethylcarbamoyl)-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-ethyl-N-[(3S,5S)-5-(ethylcarbamoyl)-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]-1H-pyrazole-3-carboxamide (CID 72882666) is 5-ethyl-N-[(3S,5S)-5-(ethylcarbamoyl)-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-ethyl-N-[(3S,5S)-5-(ethylcarbamoyl)-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-ethyl-N-[(3S,5S)-5-(ethylcarbamoyl)-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]-1H-pyrazole-3-carboxamide is CCNC(=O)[C@@H]1C[C@H](NC(=O)c2cc(CC)[nH]n2)CN1Cc1ccsc1.
What is the InChIKey of 5-ethyl-N-[(3S,5S)-5-(ethylcarbamoyl)-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]-1H-pyrazole-3-carboxamide?
The InChIKey is STFQTTILURZGJN-HOCLYGCPSA-N. The full InChI is InChI=1S/C18H25N5O2S/c1-3-13-7-15(22-21-13)17(24)20-14-8-16(18(25)19-4-2)23(10-14)9-12-5-6-26-11-12/h5-7,11,14,16H,3-4,8-10H2,1-2H3,(H,19,25)(H,20,24)(H,21,22)/t14-,16-/m0/s1.
What are the key properties of 5-ethyl-N-[(3S,5S)-5-(ethylcarbamoyl)-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]-1H-pyrazole-3-carboxamide?
5-ethyl-N-[(3S,5S)-5-(ethylcarbamoyl)-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]-1H-pyrazole-3-carboxamide has a molecular weight of 375.50 g/mol, XLogP of 1.54, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[(3S,5S)-5-(ethylcarbamoyl)-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 72882666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).