1-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea

C20H28N6O2 — CID 136578364

IUPAC1-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea
SMILESO=C(Nc1cnn(CC2CCCO2)c1)NC1CCN(Cc2ccncc2)CC1
InChIInChI=1S/C20H28N6O2/c27-20(24-18-12-22-26(14-18)15-19-2-1-11-28-19)23-17-5-9-25(10-6-17)13-16-3-7-21-8-4-16/h3-4,7-8,12,14,17,19H,1-2,5-6,9-11,13,15H2,(H2,23,24,27)
InChIKeyJFKHFRGAIZFLMA-UHFFFAOYSA-N
MW384.48 g/mol
LogP2.24
Rot. Bonds6

About 1-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea

1-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea (PubChem CID 136578364) has the molecular formula C20H28N6O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is 1-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea.

Molecular Properties

Compound Name1-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea
PubChem CID136578364
Molecular FormulaC20H28N6O2
Molecular Weight384.48 g/mol
Exact Mass384.23
IUPAC Name1-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea
SMILESO=C(Nc1cnn(CC2CCCO2)c1)NC1CCN(Cc2ccncc2)CC1
InChIInChI=1S/C20H28N6O2/c27-20(24-18-12-22-26(14-18)15-19-2-1-11-28-19)23-17-5-9-25(10-6-17)13-16-3-7-21-8-4-16/h3-4,7-8,12,14,17,19H,1-2,5-6,9-11,13,15H2,(H2,23,24,27)
InChIKeyJFKHFRGAIZFLMA-UHFFFAOYSA-N
XLogP2.24
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea with MolForge

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Related Compounds

1-(4-chlorophenyl)-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea
CID 47049584
1-[2-(4-methylpiperidin-1-yl)ethyl]-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea
CID 136578353
N-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]prop-2-enamide
CID 129365474
1-(dicyclopropylmethyl)-3-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]urea
CID 96561422
N-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]-3-pyridin-4-ylpropanamide
CID 125176299
1-(3-methoxy-2,4-dimethylphenyl)-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea
CID 136578786
1-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]urea
CID 87037090
1-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-3-propan-2-ylurea
CID 121145347
1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-3-(2,4,6-trimethylphenyl)urea
CID 47049556
1-hexyl-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea
CID 87037443
N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-2-pyridin-3-ylacetamide
CID 119099770
N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]thiophene-2-carboxamide
CID 60782178

Frequently Asked Questions

What is the IUPAC name of 1-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea?
The IUPAC name of 1-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea (CID 136578364) is 1-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea.
What is the SMILES notation for 1-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea?
The canonical SMILES for 1-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea is O=C(Nc1cnn(CC2CCCO2)c1)NC1CCN(Cc2ccncc2)CC1.
What is the InChIKey of 1-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea?
The InChIKey is JFKHFRGAIZFLMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O2/c27-20(24-18-12-22-26(14-18)15-19-2-1-11-28-19)23-17-5-9-25(10-6-17)13-16-3-7-21-8-4-16/h3-4,7-8,12,14,17,19H,1-2,5-6,9-11,13,15H2,(H2,23,24,27).
What are the key properties of 1-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea?
1-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea has a molecular weight of 384.48 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea is sourced from PubChem (CID 136578364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).