N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-1-methyl-5-thiophen-2-ylpyrazole-3-carboxamide

C14H17FN4OS — CID 70765721

IUPACN-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-1-methyl-5-thiophen-2-ylpyrazole-3-carboxamide
SMILESCn1nc(C(=O)NC[C@@H]2C[C@H](F)CN2)cc1-c1cccs1
InChIInChI=1S/C14H17FN4OS/c1-19-12(13-3-2-4-21-13)6-11(18-19)14(20)17-8-10-5-9(15)7-16-10/h2-4,6,9-10,16H,5,7-8H2,1H3,(H,17,20)/t9-,10-/m0/s1
InChIKeyCCRNBVKONKOPQF-UWVGGRQHSA-N
MW308.38 g/mol
LogP1.58
Rot. Bonds4

About N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-1-methyl-5-thiophen-2-ylpyrazole-3-carboxamide

N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-1-methyl-5-thiophen-2-ylpyrazole-3-carboxamide (PubChem CID 70765721) has the molecular formula C14H17FN4OS and a molecular weight of 308.38 g/mol. Its IUPAC name is N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-1-methyl-5-thiophen-2-ylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-1-methyl-5-thiophen-2-ylpyrazole-3-carboxamide
PubChem CID70765721
Molecular FormulaC14H17FN4OS
Molecular Weight308.38 g/mol
Exact Mass308.11
IUPAC NameN-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-1-methyl-5-thiophen-2-ylpyrazole-3-carboxamide
SMILESCn1nc(C(=O)NC[C@@H]2C[C@H](F)CN2)cc1-c1cccs1
InChIInChI=1S/C14H17FN4OS/c1-19-12(13-3-2-4-21-13)6-11(18-19)14(20)17-8-10-5-9(15)7-16-10/h2-4,6,9-10,16H,5,7-8H2,1H3,(H,17,20)/t9-,10-/m0/s1
InChIKeyCCRNBVKONKOPQF-UWVGGRQHSA-N
XLogP1.58
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Thiophene-2-carboxamide, 5-(3-trifluoromethyl-1-methyl-5-pyrazolyl)-N-methyl-
CID 621265
Thiophene-2-carboxamide, 5-(5-trifluoromethyl-1-methyl-3-pyrazolyl)-N,N-dimethyl-
CID 621268
1,5-dimethyl-N-(2-thienylmethyl)-1H-pyrazole-3-carboxamide
CID 2738497
N-[(3S)-1-(cyclobutylamino)-1-oxo-5-piperidin-1-ylpentan-3-yl]-1-cyclopentyl-5-[2-(trifluoromethyl)thiophen-3-yl]pyrazole-3-carboxamide
CID 129226880
N2,N2-dimethyl-5-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]thiophene-2-carboxamide
CID 2819922
1-methyl-N-((thiophen-2-yl)methyl)-1H-pyrazole-5-carboxamide
CID 1236012
N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl)thiophene-2-carboxamide
CID 658972
N-(1,1-dioxothiolan-3-yl)-N',N'-dimethyl-1-phenyl-3-thiophen-2-ylpyrazole-5-carbohydrazide
CID 16250091
5-(2,5-Dimethylthiophen-3-yl)-1-methylpyrazole-3-carboxamide
CID 118715046
N-[(3R)-1-(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide
CID 168294671
N-[(1,5-dimethyl-1H-pyrazol-3-yl)methyl]-4-methyl-5-phenyl-2-thiophenecarboxamide
CID 1244268
5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-phenylthiophene-2-carboxamide
CID 3801312

Frequently Asked Questions

What is the IUPAC name of N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-1-methyl-5-thiophen-2-ylpyrazole-3-carboxamide?
The IUPAC name of N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-1-methyl-5-thiophen-2-ylpyrazole-3-carboxamide (CID 70765721) is N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-1-methyl-5-thiophen-2-ylpyrazole-3-carboxamide.
What is the SMILES notation for N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-1-methyl-5-thiophen-2-ylpyrazole-3-carboxamide?
The canonical SMILES for N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-1-methyl-5-thiophen-2-ylpyrazole-3-carboxamide is Cn1nc(C(=O)NC[C@@H]2C[C@H](F)CN2)cc1-c1cccs1.
What is the InChIKey of N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-1-methyl-5-thiophen-2-ylpyrazole-3-carboxamide?
The InChIKey is CCRNBVKONKOPQF-UWVGGRQHSA-N. The full InChI is InChI=1S/C14H17FN4OS/c1-19-12(13-3-2-4-21-13)6-11(18-19)14(20)17-8-10-5-9(15)7-16-10/h2-4,6,9-10,16H,5,7-8H2,1H3,(H,17,20)/t9-,10-/m0/s1.
What are the key properties of N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-1-methyl-5-thiophen-2-ylpyrazole-3-carboxamide?
N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-1-methyl-5-thiophen-2-ylpyrazole-3-carboxamide has a molecular weight of 308.38 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-1-methyl-5-thiophen-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 70765721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).