3-amino-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]cyclohexane-1-carboxamide

C15H24N4O2 — CID 63044481

IUPAC3-amino-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]cyclohexane-1-carboxamide
SMILESNC1CCCC(C(=O)Nc2cnn(CC3CCCO3)c2)C1
InChIInChI=1S/C15H24N4O2/c16-12-4-1-3-11(7-12)15(20)18-13-8-17-19(9-13)10-14-5-2-6-21-14/h8-9,11-12,14H,1-7,10,16H2,(H,18,20)
InChIKeyNFSKRWCWJVIFHV-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.52
Rot. Bonds4

About 3-amino-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]cyclohexane-1-carboxamide

3-amino-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]cyclohexane-1-carboxamide (PubChem CID 63044481) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-amino-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]cyclohexane-1-carboxamide
PubChem CID63044481
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name3-amino-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]cyclohexane-1-carboxamide
SMILESNC1CCCC(C(=O)Nc2cnn(CC3CCCO3)c2)C1
InChIInChI=1S/C15H24N4O2/c16-12-4-1-3-11(7-12)15(20)18-13-8-17-19(9-13)10-14-5-2-6-21-14/h8-9,11-12,14H,1-7,10,16H2,(H,18,20)
InChIKeyNFSKRWCWJVIFHV-UHFFFAOYSA-N
XLogP1.52
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]cyclohexane-1-carboxamide
CID 119728671
2-(cyclopropylmethylamino)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide
CID 60867277
N-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]prop-2-enamide
CID 129365474
1-(cyclobutylmethyl)-1-methyl-3-[1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-yl]urea
CID 96567749
2-bromo-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]propanamide
CID 107903884
2-cyclopentyl-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]acetamide
CID 129355562
3-amino-N-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]pyrazol-4-yl]cyclohexane-1-carboxamide
CID 119800850
2-amino-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]butanediamide
CID 60849618
2-amino-3,3-dimethyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]butanamide
CID 76887991
1-(dicyclopropylmethyl)-3-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]urea
CID 96561422
2-(1-hydroxycyclopentyl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide
CID 111432419
1-methoxy-1-methyl-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea
CID 75393767

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]cyclohexane-1-carboxamide (CID 63044481) is 3-amino-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]cyclohexane-1-carboxamide is NC1CCCC(C(=O)Nc2cnn(CC3CCCO3)c2)C1.
What is the InChIKey of 3-amino-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]cyclohexane-1-carboxamide?
The InChIKey is NFSKRWCWJVIFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c16-12-4-1-3-11(7-12)15(20)18-13-8-17-19(9-13)10-14-5-2-6-21-14/h8-9,11-12,14H,1-7,10,16H2,(H,18,20).
What are the key properties of 3-amino-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]cyclohexane-1-carboxamide?
3-amino-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]cyclohexane-1-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 63044481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).