N-[[(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]-1H-pyrazole-5-carboxamide

C14H17FN4OS — CID 128994545

IUPACN-[[(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]-1H-pyrazole-5-carboxamide
SMILESO=C(NC[C@@H]1C[C@H](F)CN1Cc1cccs1)c1ccn[nH]1
InChIInChI=1S/C14H17FN4OS/c15-10-6-11(7-16-14(20)13-3-4-17-18-13)19(8-10)9-12-2-1-5-21-12/h1-5,10-11H,6-9H2,(H,16,20)(H,17,18)/t10-,11-/m0/s1
InChIKeyFEHSLHDYZHMIMN-QWRGUYRKSA-N
MW308.38 g/mol
LogP1.81
Rot. Bonds5

About N-[[(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]-1H-pyrazole-5-carboxamide

N-[[(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]-1H-pyrazole-5-carboxamide (PubChem CID 128994545) has the molecular formula C14H17FN4OS and a molecular weight of 308.38 g/mol. Its IUPAC name is N-[[(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[[(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]-1H-pyrazole-5-carboxamide
PubChem CID128994545
Molecular FormulaC14H17FN4OS
Molecular Weight308.38 g/mol
Exact Mass308.11
IUPAC NameN-[[(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]-1H-pyrazole-5-carboxamide
SMILESO=C(NC[C@@H]1C[C@H](F)CN1Cc1cccs1)c1ccn[nH]1
InChIInChI=1S/C14H17FN4OS/c15-10-6-11(7-16-14(20)13-3-4-17-18-13)19(8-10)9-12-2-1-5-21-12/h1-5,10-11H,6-9H2,(H,16,20)(H,17,18)/t10-,11-/m0/s1
InChIKeyFEHSLHDYZHMIMN-QWRGUYRKSA-N
XLogP1.81
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]-1H-pyrazole-5-carboxamide with MolForge

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Related Compounds

1-methyl-N-((thiophen-2-yl)methyl)-1H-pyrazole-5-carboxamide
CID 1236012
N-[(3R)-1-(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide
CID 168294671
N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-thiophen-2-ylethyl]-N-phenyl-1H-pyrazole-5-carboxamide
CID 3216056
N-((1H-Pyrazol-3-yl)methyl)-5-fluorothiophene-2-carboxamide
CID 119056288
N-{[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl}-1-methyl-5-(2-thienyl)-1H-pyrazole-3-carboxamide
CID 70765721
(4S)-N-ethyl-4-{[(3-ethyl-1H-pyrazol-5-yl)carbonyl]amino}-1-(3-thienylmethyl)-L-prolinamide
CID 72882666
N-(3-(6-oxopyridazin-1(6H)-yl)propyl)-3-(thiophen-2-yl)-1H-pyrazole-5-carboxamide
CID 45538377
1-ethyl-N-(2-(thiophen-2-yl)ethyl)-1H-pyrazole-3-carboxamide
CID 45550372
N-(2-(6-oxo-3-(thiophen-2-yl)pyridazin-1(6H)-yl)ethyl)-3-(thiophen-2-yl)-1H-pyrazole-5-carboxamide
CID 49671292
(4-(1H-1,2,3-triazol-1-yl)piperidin-1-yl)(3-(thiophen-2-yl)-1H-pyrazol-5-yl)methanone
CID 76150986
((1R,5S)-3-(methylthio)-8-azabicyclo[3.2.1]octan-8-yl)(3-(thiophen-2-yl)-1H-pyrazol-5-yl)methanone
CID 86264448
N-(2-(4-oxothieno[3,2-d]pyrimidin-3(4H)-yl)ethyl)-1H-pyrazole-3-carboxamide
CID 91632384

Frequently Asked Questions

What is the IUPAC name of N-[[(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[[(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]-1H-pyrazole-5-carboxamide (CID 128994545) is N-[[(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[[(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[[(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]-1H-pyrazole-5-carboxamide is O=C(NC[C@@H]1C[C@H](F)CN1Cc1cccs1)c1ccn[nH]1.
What is the InChIKey of N-[[(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]-1H-pyrazole-5-carboxamide?
The InChIKey is FEHSLHDYZHMIMN-QWRGUYRKSA-N. The full InChI is InChI=1S/C14H17FN4OS/c15-10-6-11(7-16-14(20)13-3-4-17-18-13)19(8-10)9-12-2-1-5-21-12/h1-5,10-11H,6-9H2,(H,16,20)(H,17,18)/t10-,11-/m0/s1.
What are the key properties of N-[[(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]-1H-pyrazole-5-carboxamide?
N-[[(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]-1H-pyrazole-5-carboxamide has a molecular weight of 308.38 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 128994545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).