3-(5-methylfuran-2-yl)-1-phenyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazole-4-carboxamide

C24H24N6O2 — CID 55803900

IUPAC3-(5-methylfuran-2-yl)-1-phenyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazole-4-carboxamide
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NC2CCCN(c3ncccn3)C2)o1
InChIInChI=1S/C24H24N6O2/c1-17-10-11-21(32-17)22-20(16-30(28-22)19-8-3-2-4-9-19)23(31)27-18-7-5-14-29(15-18)24-25-12-6-13-26-24/h2-4,6,8-13,16,18H,5,7,14-15H2,1H3,(H,27,31)
InChIKeyINFGIGDRTDNNEU-UHFFFAOYSA-N
MW428.50 g/mol
LogP3.63
Rot. Bonds5

About 3-(5-methylfuran-2-yl)-1-phenyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazole-4-carboxamide

3-(5-methylfuran-2-yl)-1-phenyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazole-4-carboxamide (PubChem CID 55803900) has the molecular formula C24H24N6O2 and a molecular weight of 428.50 g/mol. Its IUPAC name is 3-(5-methylfuran-2-yl)-1-phenyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(5-methylfuran-2-yl)-1-phenyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazole-4-carboxamide
PubChem CID55803900
Molecular FormulaC24H24N6O2
Molecular Weight428.50 g/mol
Exact Mass428.20
IUPAC Name3-(5-methylfuran-2-yl)-1-phenyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazole-4-carboxamide
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NC2CCCN(c3ncccn3)C2)o1
InChIInChI=1S/C24H24N6O2/c1-17-10-11-21(32-17)22-20(16-30(28-22)19-8-3-2-4-9-19)23(31)27-18-7-5-14-29(15-18)24-25-12-6-13-26-24/h2-4,6,8-13,16,18H,5,7,14-15H2,1H3,(H,27,31)
InChIKeyINFGIGDRTDNNEU-UHFFFAOYSA-N
XLogP3.63
TPSA89.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(5-methylfuran-2-yl)-1-phenyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide
CID 126775523
3-(5-methylfuran-2-yl)-N-(2-oxopiperidin-3-yl)-1-phenylpyrazole-4-carboxamide
CID 71882633
3-(5-methylfuran-2-yl)-N-(2-morpholin-4-ylethyl)-1-phenylpyrazole-4-carboxamide
CID 51159400
(3-aminopiperidin-1-yl)-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methanone
CID 119379648
N-(3-methylbutyl)-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide
CID 31435539
[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxylate
CID 34843851
azepan-1-yl-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methanone
CID 35810069
N-butyl-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide
CID 34230439
N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide
CID 56544293
2-anilino-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzamide
CID 71939760
N-(2-amino-1-cyclopropylethyl)-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide;hydrochloride
CID 119615448
2-benzyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzamide
CID 55804031

Frequently Asked Questions

What is the IUPAC name of 3-(5-methylfuran-2-yl)-1-phenyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazole-4-carboxamide?
The IUPAC name of 3-(5-methylfuran-2-yl)-1-phenyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazole-4-carboxamide (CID 55803900) is 3-(5-methylfuran-2-yl)-1-phenyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 3-(5-methylfuran-2-yl)-1-phenyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazole-4-carboxamide?
The canonical SMILES for 3-(5-methylfuran-2-yl)-1-phenyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazole-4-carboxamide is Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NC2CCCN(c3ncccn3)C2)o1.
What is the InChIKey of 3-(5-methylfuran-2-yl)-1-phenyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazole-4-carboxamide?
The InChIKey is INFGIGDRTDNNEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O2/c1-17-10-11-21(32-17)22-20(16-30(28-22)19-8-3-2-4-9-19)23(31)27-18-7-5-14-29(15-18)24-25-12-6-13-26-24/h2-4,6,8-13,16,18H,5,7,14-15H2,1H3,(H,27,31).
What are the key properties of 3-(5-methylfuran-2-yl)-1-phenyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazole-4-carboxamide?
3-(5-methylfuran-2-yl)-1-phenyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazole-4-carboxamide has a molecular weight of 428.50 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methylfuran-2-yl)-1-phenyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 55803900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).