N-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]-N-propan-2-yl-1H-pyrazole-5-carboxamide

C18H18FN3OS — CID 71937599

IUPACN-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]-N-propan-2-yl-1H-pyrazole-5-carboxamide
SMILESCC(C)N(Cc1ccc(-c2ccccc2F)s1)C(=O)c1ccn[nH]1
InChIInChI=1S/C18H18FN3OS/c1-12(2)22(18(23)16-9-10-20-21-16)11-13-7-8-17(24-13)14-5-3-4-6-15(14)19/h3-10,12H,11H2,1-2H3,(H,20,21)
InChIKeyWNBFCCMEYRSMPX-UHFFFAOYSA-N
MW343.43 g/mol
LogP4.33
Rot. Bonds5

About N-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]-N-propan-2-yl-1H-pyrazole-5-carboxamide

N-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]-N-propan-2-yl-1H-pyrazole-5-carboxamide (PubChem CID 71937599) has the molecular formula C18H18FN3OS and a molecular weight of 343.43 g/mol. Its IUPAC name is N-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]-N-propan-2-yl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]-N-propan-2-yl-1H-pyrazole-5-carboxamide
PubChem CID71937599
Molecular FormulaC18H18FN3OS
Molecular Weight343.43 g/mol
Exact Mass343.12
IUPAC NameN-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]-N-propan-2-yl-1H-pyrazole-5-carboxamide
SMILESCC(C)N(Cc1ccc(-c2ccccc2F)s1)C(=O)c1ccn[nH]1
InChIInChI=1S/C18H18FN3OS/c1-12(2)22(18(23)16-9-10-20-21-16)11-13-7-8-17(24-13)14-5-3-4-6-15(14)19/h3-10,12H,11H2,1-2H3,(H,20,21)
InChIKeyWNBFCCMEYRSMPX-UHFFFAOYSA-N
XLogP4.33
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]-N-propan-2-yl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]-N-propan-2-yl-1H-pyrazole-5-carboxamide (CID 71937599) is N-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]-N-propan-2-yl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]-N-propan-2-yl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]-N-propan-2-yl-1H-pyrazole-5-carboxamide is CC(C)N(Cc1ccc(-c2ccccc2F)s1)C(=O)c1ccn[nH]1.
What is the InChIKey of N-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]-N-propan-2-yl-1H-pyrazole-5-carboxamide?
The InChIKey is WNBFCCMEYRSMPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3OS/c1-12(2)22(18(23)16-9-10-20-21-16)11-13-7-8-17(24-13)14-5-3-4-6-15(14)19/h3-10,12H,11H2,1-2H3,(H,20,21).
What are the key properties of N-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]-N-propan-2-yl-1H-pyrazole-5-carboxamide?
N-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]-N-propan-2-yl-1H-pyrazole-5-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]-N-propan-2-yl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 71937599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).