1-(furan-2-carbonyl)-N-(1-methylpyrazol-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide

C18H20N6O3 — CID 155874366

IUPAC1-(furan-2-carbonyl)-N-(1-methylpyrazol-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESCn1ccc(NC(=O)C2(n3cccn3)CCN(C(=O)c3ccco3)CC2)n1
InChIInChI=1S/C18H20N6O3/c1-22-10-5-15(21-22)20-17(26)18(24-9-3-8-19-24)6-11-23(12-7-18)16(25)14-4-2-13-27-14/h2-5,8-10,13H,6-7,11-12H2,1H3,(H,20,21,26)
InChIKeyVXKNBPFKPLBQSF-UHFFFAOYSA-N
MW368.40 g/mol
LogP1.48
Rot. Bonds4

About 1-(furan-2-carbonyl)-N-(1-methylpyrazol-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide

1-(furan-2-carbonyl)-N-(1-methylpyrazol-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide (PubChem CID 155874366) has the molecular formula C18H20N6O3 and a molecular weight of 368.40 g/mol. Its IUPAC name is 1-(furan-2-carbonyl)-N-(1-methylpyrazol-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(furan-2-carbonyl)-N-(1-methylpyrazol-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide
PubChem CID155874366
Molecular FormulaC18H20N6O3
Molecular Weight368.40 g/mol
Exact Mass368.16
IUPAC Name1-(furan-2-carbonyl)-N-(1-methylpyrazol-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESCn1ccc(NC(=O)C2(n3cccn3)CCN(C(=O)c3ccco3)CC2)n1
InChIInChI=1S/C18H20N6O3/c1-22-10-5-15(21-22)20-17(26)18(24-9-3-8-19-24)6-11-23(12-7-18)16(25)14-4-2-13-27-14/h2-5,8-10,13H,6-7,11-12H2,1H3,(H,20,21,26)
InChIKeyVXKNBPFKPLBQSF-UHFFFAOYSA-N
XLogP1.48
TPSA98.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-acetyl-N-(1-methylpyrazol-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 155874120
N-(1-methylpyrazol-3-yl)-4-pyrazol-1-yl-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 155873094
formic acid;N-(1-methylpyrazol-3-yl)-1-(2-methylsulfonylacetyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 155873780
furan-2-yl-[4-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperazin-1-yl]methanone;hydrochloride
CID 120917356
N-(cyclopropylmethyl)-1-(1-methylpyrazole-3-carbonyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 155874619
3-azaspiro[5.5]undecan-3-yl(furan-2-yl)methanone
CID 62867411
1,4-dioxa-8-azaspiro[4.5]decan-8-yl(furan-2-yl)methanone
CID 2225250
N-ethyl-4-(furan-2-carbonyl)-N'-(2-pyrazol-1-ylethyl)piperazine-1-carboximidamide
CID 111167297
[4-(1,3-dimethylpyrazole-4-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 844559
8-(furan-2-carbonyl)-1,3-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 27377648
azepan-1-yl(furan-2-yl)methanone
CID 5200992
1'-(furan-2-carbonyl)-3-methylspiro[1H-quinazoline-2,4'-piperidine]-4-one
CID 71878002

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-carbonyl)-N-(1-methylpyrazol-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide?
The IUPAC name of 1-(furan-2-carbonyl)-N-(1-methylpyrazol-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide (CID 155874366) is 1-(furan-2-carbonyl)-N-(1-methylpyrazol-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(furan-2-carbonyl)-N-(1-methylpyrazol-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-(furan-2-carbonyl)-N-(1-methylpyrazol-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide is Cn1ccc(NC(=O)C2(n3cccn3)CCN(C(=O)c3ccco3)CC2)n1.
What is the InChIKey of 1-(furan-2-carbonyl)-N-(1-methylpyrazol-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide?
The InChIKey is VXKNBPFKPLBQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O3/c1-22-10-5-15(21-22)20-17(26)18(24-9-3-8-19-24)6-11-23(12-7-18)16(25)14-4-2-13-27-14/h2-5,8-10,13H,6-7,11-12H2,1H3,(H,20,21,26).
What are the key properties of 1-(furan-2-carbonyl)-N-(1-methylpyrazol-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide?
1-(furan-2-carbonyl)-N-(1-methylpyrazol-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide has a molecular weight of 368.40 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-carbonyl)-N-(1-methylpyrazol-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide is sourced from PubChem (CID 155874366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).