N-(cyclopropylmethyl)-5-[5-[difluoro(phosphanyl)methyl]-1-methylpyrazol-3-yl]thiophene-2-carboxamide

C14H16F2N3OPS — CID 143533823

IUPACN-(cyclopropylmethyl)-5-[5-[difluoro(phosphanyl)methyl]-1-methylpyrazol-3-yl]thiophene-2-carboxamide
SMILESCn1nc(-c2ccc(C(=O)NCC3CC3)s2)cc1C(F)(F)P
InChIInChI=1S/C14H16F2N3OPS/c1-19-12(14(15,16)21)6-9(18-19)10-4-5-11(22-10)13(20)17-7-8-2-3-8/h4-6,8H,2-3,7,21H2,1H3,(H,17,20)
InChIKeyXZEIELMDOPNGEA-UHFFFAOYSA-N
MW343.34 g/mol
LogP3.21
Rot. Bonds5

About N-(cyclopropylmethyl)-5-[5-[difluoro(phosphanyl)methyl]-1-methylpyrazol-3-yl]thiophene-2-carboxamide

N-(cyclopropylmethyl)-5-[5-[difluoro(phosphanyl)methyl]-1-methylpyrazol-3-yl]thiophene-2-carboxamide (PubChem CID 143533823) has the molecular formula C14H16F2N3OPS and a molecular weight of 343.34 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-5-[5-[difluoro(phosphanyl)methyl]-1-methylpyrazol-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-5-[5-[difluoro(phosphanyl)methyl]-1-methylpyrazol-3-yl]thiophene-2-carboxamide
PubChem CID143533823
Molecular FormulaC14H16F2N3OPS
Molecular Weight343.34 g/mol
Exact Mass343.07
IUPAC NameN-(cyclopropylmethyl)-5-[5-[difluoro(phosphanyl)methyl]-1-methylpyrazol-3-yl]thiophene-2-carboxamide
SMILESCn1nc(-c2ccc(C(=O)NCC3CC3)s2)cc1C(F)(F)P
InChIInChI=1S/C14H16F2N3OPS/c1-19-12(14(15,16)21)6-9(18-19)10-4-5-11(22-10)13(20)17-7-8-2-3-8/h4-6,8H,2-3,7,21H2,1H3,(H,17,20)
InChIKeyXZEIELMDOPNGEA-UHFFFAOYSA-N
XLogP3.21
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

N-hydroxy-5-(1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl)thiophene-2-carboxamide
CID 44418141
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
N2,N2-dimethyl-5-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]thiophene-2-carboxamide
CID 2819922
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
Thiophene-2-carboxamide, 5-(5-trifluoromethyl-1-methyl-3-pyrazolyl)-
CID 621259
N-methyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide
CID 3797050
2-fluoro-N-[5-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]benzamide
CID 56847745
2,6-difluoro-N-[5-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]benzamide
CID 56847746
4-amino-N-(2-fluorophenyl)-5-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide
CID 68062204
N-(3,5-difluorophenyl)-5-[(3,5-dimethylpyrazol-1-yl)methyl]thiophene-2-carboxamide
CID 164617268

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-5-[5-[difluoro(phosphanyl)methyl]-1-methylpyrazol-3-yl]thiophene-2-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-5-[5-[difluoro(phosphanyl)methyl]-1-methylpyrazol-3-yl]thiophene-2-carboxamide (CID 143533823) is N-(cyclopropylmethyl)-5-[5-[difluoro(phosphanyl)methyl]-1-methylpyrazol-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-5-[5-[difluoro(phosphanyl)methyl]-1-methylpyrazol-3-yl]thiophene-2-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-5-[5-[difluoro(phosphanyl)methyl]-1-methylpyrazol-3-yl]thiophene-2-carboxamide is Cn1nc(-c2ccc(C(=O)NCC3CC3)s2)cc1C(F)(F)P.
What is the InChIKey of N-(cyclopropylmethyl)-5-[5-[difluoro(phosphanyl)methyl]-1-methylpyrazol-3-yl]thiophene-2-carboxamide?
The InChIKey is XZEIELMDOPNGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N3OPS/c1-19-12(14(15,16)21)6-9(18-19)10-4-5-11(22-10)13(20)17-7-8-2-3-8/h4-6,8H,2-3,7,21H2,1H3,(H,17,20).
What are the key properties of N-(cyclopropylmethyl)-5-[5-[difluoro(phosphanyl)methyl]-1-methylpyrazol-3-yl]thiophene-2-carboxamide?
N-(cyclopropylmethyl)-5-[5-[difluoro(phosphanyl)methyl]-1-methylpyrazol-3-yl]thiophene-2-carboxamide has a molecular weight of 343.34 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-5-[5-[difluoro(phosphanyl)methyl]-1-methylpyrazol-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 143533823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).