N-[3-(furan-2-yl)-1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-5-yl]cyclohexanecarboxamide

C21H25N5O3 — CID 136606395

IUPACN-[3-(furan-2-yl)-1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-5-yl]cyclohexanecarboxamide
SMILESCCCc1cc(=O)[nH]c(-n2nc(-c3ccco3)cc2NC(=O)C2CCCCC2)n1
InChIInChI=1S/C21H25N5O3/c1-2-7-15-12-19(27)24-21(22-15)26-18(13-16(25-26)17-10-6-11-29-17)23-20(28)14-8-4-3-5-9-14/h6,10-14H,2-5,7-9H2,1H3,(H,23,28)(H,22,24,27)
InChIKeyJFWQHLJCWPKKFH-UHFFFAOYSA-N
MW395.46 g/mol
LogP3.69
Rot. Bonds6

About N-[3-(furan-2-yl)-1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-5-yl]cyclohexanecarboxamide

N-[3-(furan-2-yl)-1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-5-yl]cyclohexanecarboxamide (PubChem CID 136606395) has the molecular formula C21H25N5O3 and a molecular weight of 395.46 g/mol. Its IUPAC name is N-[3-(furan-2-yl)-1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-5-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[3-(furan-2-yl)-1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-5-yl]cyclohexanecarboxamide
PubChem CID136606395
Molecular FormulaC21H25N5O3
Molecular Weight395.46 g/mol
Exact Mass395.20
IUPAC NameN-[3-(furan-2-yl)-1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-5-yl]cyclohexanecarboxamide
SMILESCCCc1cc(=O)[nH]c(-n2nc(-c3ccco3)cc2NC(=O)C2CCCCC2)n1
InChIInChI=1S/C21H25N5O3/c1-2-7-15-12-19(27)24-21(22-15)26-18(13-16(25-26)17-10-6-11-29-17)23-20(28)14-8-4-3-5-9-14/h6,10-14H,2-5,7-9H2,1H3,(H,23,28)(H,22,24,27)
InChIKeyJFWQHLJCWPKKFH-UHFFFAOYSA-N
XLogP3.69
TPSA105.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(furan-2-yl)-1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-5-yl]cyclopentanecarboxamide
CID 135879870
N-[3-(furan-2-yl)-1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-methoxyacetamide
CID 136606402
3-chloro-N-[3-(furan-2-yl)-1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2,2-dimethylpropanamide
CID 136606408
3-chloro-N-[3-(furan-2-yl)-1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-5-yl]propanamide
CID 136606405
4-chloro-N-[3-(furan-2-yl)-1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-5-yl]butanamide
CID 136606406
3-chloro-N-[3-(furan-2-yl)-1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-5-yl]benzamide
CID 136606433
N-[3-(furan-2-yl)-1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-methylsulfanylbenzamide
CID 136606518
N-[3-(furan-2-yl)-1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-5-yl]-3,5-bis(trifluoromethyl)benzamide
CID 136606457
2-chloro-N-[1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]propanamide
CID 136606257
3-cyclohexyl-N-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]propanamide
CID 136614810
trans-(1R,2R)-2-[[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]carbamoyl]cyclohexane-1-carboxylate
CID 135551450
N-[1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]naphthalene-1-carboxamide
CID 136606309

Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-2-yl)-1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-5-yl]cyclohexanecarboxamide?
The IUPAC name of N-[3-(furan-2-yl)-1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-5-yl]cyclohexanecarboxamide (CID 136606395) is N-[3-(furan-2-yl)-1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-5-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[3-(furan-2-yl)-1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-5-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[3-(furan-2-yl)-1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-5-yl]cyclohexanecarboxamide is CCCc1cc(=O)[nH]c(-n2nc(-c3ccco3)cc2NC(=O)C2CCCCC2)n1.
What is the InChIKey of N-[3-(furan-2-yl)-1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-5-yl]cyclohexanecarboxamide?
The InChIKey is JFWQHLJCWPKKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O3/c1-2-7-15-12-19(27)24-21(22-15)26-18(13-16(25-26)17-10-6-11-29-17)23-20(28)14-8-4-3-5-9-14/h6,10-14H,2-5,7-9H2,1H3,(H,23,28)(H,22,24,27).
What are the key properties of N-[3-(furan-2-yl)-1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-5-yl]cyclohexanecarboxamide?
N-[3-(furan-2-yl)-1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-5-yl]cyclohexanecarboxamide has a molecular weight of 395.46 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-2-yl)-1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-5-yl]cyclohexanecarboxamide is sourced from PubChem (CID 136606395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).