N-cyclopropyl-5-(3-fluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]-1H-pyrazole-4-carboxamide

C19H18FN3OS — CID 70740715

IUPACN-cyclopropyl-5-(3-fluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]-1H-pyrazole-4-carboxamide
SMILESCc1ccc(CN(C(=O)c2cn[nH]c2-c2cccc(F)c2)C2CC2)s1
InChIInChI=1S/C19H18FN3OS/c1-12-5-8-16(25-12)11-23(15-6-7-15)19(24)17-10-21-22-18(17)13-3-2-4-14(20)9-13/h2-5,8-10,15H,6-7,11H2,1H3,(H,21,22)
InChIKeyREKFCHBGUQUSSL-UHFFFAOYSA-N
MW355.44 g/mol
LogP4.39
Rot. Bonds5

About N-cyclopropyl-5-(3-fluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]-1H-pyrazole-4-carboxamide

N-cyclopropyl-5-(3-fluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]-1H-pyrazole-4-carboxamide (PubChem CID 70740715) has the molecular formula C19H18FN3OS and a molecular weight of 355.44 g/mol. Its IUPAC name is N-cyclopropyl-5-(3-fluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-(3-fluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]-1H-pyrazole-4-carboxamide
PubChem CID70740715
Molecular FormulaC19H18FN3OS
Molecular Weight355.44 g/mol
Exact Mass355.12
IUPAC NameN-cyclopropyl-5-(3-fluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]-1H-pyrazole-4-carboxamide
SMILESCc1ccc(CN(C(=O)c2cn[nH]c2-c2cccc(F)c2)C2CC2)s1
InChIInChI=1S/C19H18FN3OS/c1-12-5-8-16(25-12)11-23(15-6-7-15)19(24)17-10-21-22-18(17)13-3-2-4-14(20)9-13/h2-5,8-10,15H,6-7,11H2,1H3,(H,21,22)
InChIKeyREKFCHBGUQUSSL-UHFFFAOYSA-N
XLogP4.39
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 154898433
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CID 105455963
N-cyclopentyl-N-[(5-methylthiophen-2-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide
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N-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 55761477
N-benzyl-N-cyclopropyl-5-methyl-1H-pyrazole-4-carboxamide
CID 63999824
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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-(3-fluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N-cyclopropyl-5-(3-fluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]-1H-pyrazole-4-carboxamide (CID 70740715) is N-cyclopropyl-5-(3-fluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-(3-fluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-cyclopropyl-5-(3-fluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]-1H-pyrazole-4-carboxamide is Cc1ccc(CN(C(=O)c2cn[nH]c2-c2cccc(F)c2)C2CC2)s1.
What is the InChIKey of N-cyclopropyl-5-(3-fluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]-1H-pyrazole-4-carboxamide?
The InChIKey is REKFCHBGUQUSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3OS/c1-12-5-8-16(25-12)11-23(15-6-7-15)19(24)17-10-21-22-18(17)13-3-2-4-14(20)9-13/h2-5,8-10,15H,6-7,11H2,1H3,(H,21,22).
What are the key properties of N-cyclopropyl-5-(3-fluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]-1H-pyrazole-4-carboxamide?
N-cyclopropyl-5-(3-fluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]-1H-pyrazole-4-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-(3-fluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 70740715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).