N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-3-methylthiophene-2-carboxamide

C19H19FN4OS — CID 91888087

IUPACN-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)NC1CCN(c2cc(-c3ccc(F)cc3)[nH]n2)C1
InChIInChI=1S/C19H19FN4OS/c1-12-7-9-26-18(12)19(25)21-15-6-8-24(11-15)17-10-16(22-23-17)13-2-4-14(20)5-3-13/h2-5,7,9-10,15H,6,8,11H2,1H3,(H,21,25)(H,22,23)
InChIKeyHBDWLSXNUCBMTA-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.59
Rot. Bonds4

About N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-3-methylthiophene-2-carboxamide

N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-3-methylthiophene-2-carboxamide (PubChem CID 91888087) has the molecular formula C19H19FN4OS and a molecular weight of 370.45 g/mol. Its IUPAC name is N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-3-methylthiophene-2-carboxamide
PubChem CID91888087
Molecular FormulaC19H19FN4OS
Molecular Weight370.45 g/mol
Exact Mass370.13
IUPAC NameN-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)NC1CCN(c2cc(-c3ccc(F)cc3)[nH]n2)C1
InChIInChI=1S/C19H19FN4OS/c1-12-7-9-26-18(12)19(25)21-15-6-8-24(11-15)17-10-16(22-23-17)13-2-4-14(20)5-3-13/h2-5,7,9-10,15H,6,8,11H2,1H3,(H,21,25)(H,22,23)
InChIKeyHBDWLSXNUCBMTA-UHFFFAOYSA-N
XLogP3.59
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-3-methylthiophene-2-carboxamide?
The IUPAC name of N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-3-methylthiophene-2-carboxamide (CID 91888087) is N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-3-methylthiophene-2-carboxamide is Cc1ccsc1C(=O)NC1CCN(c2cc(-c3ccc(F)cc3)[nH]n2)C1.
What is the InChIKey of N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-3-methylthiophene-2-carboxamide?
The InChIKey is HBDWLSXNUCBMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4OS/c1-12-7-9-26-18(12)19(25)21-15-6-8-24(11-15)17-10-16(22-23-17)13-2-4-14(20)5-3-13/h2-5,7,9-10,15H,6,8,11H2,1H3,(H,21,25)(H,22,23).
What are the key properties of N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-3-methylthiophene-2-carboxamide?
N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-3-methylthiophene-2-carboxamide has a molecular weight of 370.45 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 91888087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).