1-[5-(furan-2-carbonylamino)-1-phenylpyrazole-4-carbonyl]piperidine-4-carboxamide

C21H21N5O4 — CID 1267978

IUPAC1-[5-(furan-2-carbonylamino)-1-phenylpyrazole-4-carbonyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2cnn(-c3ccccc3)c2NC(=O)c2ccco2)CC1
InChIInChI=1S/C21H21N5O4/c22-18(27)14-8-10-25(11-9-14)21(29)16-13-23-26(15-5-2-1-3-6-15)19(16)24-20(28)17-7-4-12-30-17/h1-7,12-14H,8-11H2,(H2,22,27)(H,24,28)
InChIKeyFKWNDQCPVHTUKU-UHFFFAOYSA-N
MW407.43 g/mol
LogP2.06
Rot. Bonds5

About 1-[5-(furan-2-carbonylamino)-1-phenylpyrazole-4-carbonyl]piperidine-4-carboxamide

1-[5-(furan-2-carbonylamino)-1-phenylpyrazole-4-carbonyl]piperidine-4-carboxamide (PubChem CID 1267978) has the molecular formula C21H21N5O4 and a molecular weight of 407.43 g/mol. Its IUPAC name is 1-[5-(furan-2-carbonylamino)-1-phenylpyrazole-4-carbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[5-(furan-2-carbonylamino)-1-phenylpyrazole-4-carbonyl]piperidine-4-carboxamide
PubChem CID1267978
Molecular FormulaC21H21N5O4
Molecular Weight407.43 g/mol
Exact Mass407.16
IUPAC Name1-[5-(furan-2-carbonylamino)-1-phenylpyrazole-4-carbonyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2cnn(-c3ccccc3)c2NC(=O)c2ccco2)CC1
InChIInChI=1S/C21H21N5O4/c22-18(27)14-8-10-25(11-9-14)21(29)16-13-23-26(15-5-2-1-3-6-15)19(16)24-20(28)17-7-4-12-30-17/h1-7,12-14H,8-11H2,(H2,22,27)(H,24,28)
InChIKeyFKWNDQCPVHTUKU-UHFFFAOYSA-N
XLogP2.06
TPSA123.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.43
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-furylmethyl)-5-[(4-methylbenzoyl)amino]-1-phenyl-1H-pyrazole-4-carboxamide
CID 1037536
6-(2-Furyl)-1,5-bis(p-tolyl)pyrazolo[3,4-d]pyrimidin-4-one
CID 9550876
6-(2-furyl)-5-(4-methoxyphenyl)-1-(2-methylphenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 15990607
N-(2-furylmethyl)-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 659919
1-[4-(Cyanomethyl)-1-(furan-2-ylmethyl)piperidin-4-yl]-3-(4-fluoroanilino)pyrazole-4-carboxamide
CID 89462460
1-[4-(Cyanomethyl)-1-(furan-2-ylmethyl)piperidin-4-yl]-3-[(2-fluoro-4-pyridinyl)amino]pyrazole-4-carboxamide
CID 89473523
N-Furan-2-ylmethyl-2-(4-oxo-1-p-tolyl-1,4-dihydro-pyrazolo[3,4-d]pyrimidin-5-yl)-acetamide
CID 646968
5-(2-furoylamino)-N-(4-methylphenyl)-1-phenyl-1H-pyrazole-4-carboxamide
CID 653788
N-[2-phenyl-4-(piperidine-1-carbonyl)pyrazol-3-yl]furan-2-carboxamide
CID 1067684
5-(furan-2-carbonylamino)-1-phenyl-N-(4-propan-2-ylphenyl)pyrazole-4-carboxamide
CID 1067709
5-[(Furan-2-carbonyl)-amino]-1-phenyl-1H-pyrazole-4-carboxylic acid naphthalen-1-ylamide
CID 1284327
N-[4-(3,4-dihydro-2(1H)-isoquinolinylcarbonyl)-1-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-2-furamide
CID 2213981

Frequently Asked Questions

What is the IUPAC name of 1-[5-(furan-2-carbonylamino)-1-phenylpyrazole-4-carbonyl]piperidine-4-carboxamide?
The IUPAC name of 1-[5-(furan-2-carbonylamino)-1-phenylpyrazole-4-carbonyl]piperidine-4-carboxamide (CID 1267978) is 1-[5-(furan-2-carbonylamino)-1-phenylpyrazole-4-carbonyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[5-(furan-2-carbonylamino)-1-phenylpyrazole-4-carbonyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[5-(furan-2-carbonylamino)-1-phenylpyrazole-4-carbonyl]piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)c2cnn(-c3ccccc3)c2NC(=O)c2ccco2)CC1.
What is the InChIKey of 1-[5-(furan-2-carbonylamino)-1-phenylpyrazole-4-carbonyl]piperidine-4-carboxamide?
The InChIKey is FKWNDQCPVHTUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O4/c22-18(27)14-8-10-25(11-9-14)21(29)16-13-23-26(15-5-2-1-3-6-15)19(16)24-20(28)17-7-4-12-30-17/h1-7,12-14H,8-11H2,(H2,22,27)(H,24,28).
What are the key properties of 1-[5-(furan-2-carbonylamino)-1-phenylpyrazole-4-carbonyl]piperidine-4-carboxamide?
1-[5-(furan-2-carbonylamino)-1-phenylpyrazole-4-carbonyl]piperidine-4-carboxamide has a molecular weight of 407.43 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(furan-2-carbonylamino)-1-phenylpyrazole-4-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 1267978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).