1-cyclohexyl-3-(1-propan-2-ylpyrazol-4-yl)-1-(pyridin-2-ylmethyl)urea

C19H27N5O — CID 118782661

IUPAC1-cyclohexyl-3-(1-propan-2-ylpyrazol-4-yl)-1-(pyridin-2-ylmethyl)urea
SMILESCC(C)n1cc(NC(=O)N(Cc2ccccn2)C2CCCCC2)cn1
InChIInChI=1S/C19H27N5O/c1-15(2)24-14-17(12-21-24)22-19(25)23(18-9-4-3-5-10-18)13-16-8-6-7-11-20-16/h6-8,11-12,14-15,18H,3-5,9-10,13H2,1-2H3,(H,22,25)
InChIKeyGRDJTNWEQXAQIE-UHFFFAOYSA-N
MW341.46 g/mol
LogP4.23
Rot. Bonds5

About 1-cyclohexyl-3-(1-propan-2-ylpyrazol-4-yl)-1-(pyridin-2-ylmethyl)urea

1-cyclohexyl-3-(1-propan-2-ylpyrazol-4-yl)-1-(pyridin-2-ylmethyl)urea (PubChem CID 118782661) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is 1-cyclohexyl-3-(1-propan-2-ylpyrazol-4-yl)-1-(pyridin-2-ylmethyl)urea.

Molecular Properties

Compound Name1-cyclohexyl-3-(1-propan-2-ylpyrazol-4-yl)-1-(pyridin-2-ylmethyl)urea
PubChem CID118782661
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name1-cyclohexyl-3-(1-propan-2-ylpyrazol-4-yl)-1-(pyridin-2-ylmethyl)urea
SMILESCC(C)n1cc(NC(=O)N(Cc2ccccn2)C2CCCCC2)cn1
InChIInChI=1S/C19H27N5O/c1-15(2)24-14-17(12-21-24)22-19(25)23(18-9-4-3-5-10-18)13-16-8-6-7-11-20-16/h6-8,11-12,14-15,18H,3-5,9-10,13H2,1-2H3,(H,22,25)
InChIKeyGRDJTNWEQXAQIE-UHFFFAOYSA-N
XLogP4.23
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chlorophenyl)-1-cyclopentyl-1-(pyridin-2-ylmethyl)urea
CID 150027753
2-bromo-N-cyclopropyl-N-(pyridin-2-ylmethyl)propanamide
CID 107904243
1-cyclopropyl-3-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-1-(pyridin-2-ylmethyl)urea
CID 94172067
1-cyclopropyl-3-[(2S)-1-imidazol-1-ylpropan-2-yl]-1-(pyridin-2-ylmethyl)urea
CID 95133629
1-(1-hydroxypropan-2-yl)-1-methyl-3-(1-propan-2-ylpyrazol-4-yl)urea
CID 110010595
2-amino-N-cyclopropyl-3-methyl-N-(pyridin-2-ylmethyl)butanamide
CID 54869781
2-amino-N-(1-propan-2-ylpyrazol-4-yl)cyclopentane-1-carboxamide
CID 64824835
3-amino-N-cyclopropyl-2-methyl-N-(pyridin-2-ylmethyl)propanamide
CID 62670174
2-[(1-propan-2-ylpyrazol-4-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 62904242
N-cyclopropyl-N-(pyridin-2-ylmethyl)propanamide
CID 60668331
(2S)-3-methyl-2-piperidin-1-yl-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]butanamide
CID 99816503
(2S)-N-cyclohexyl-2-(dimethylamino)-2-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)acetamide
CID 97201502

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(1-propan-2-ylpyrazol-4-yl)-1-(pyridin-2-ylmethyl)urea?
The IUPAC name of 1-cyclohexyl-3-(1-propan-2-ylpyrazol-4-yl)-1-(pyridin-2-ylmethyl)urea (CID 118782661) is 1-cyclohexyl-3-(1-propan-2-ylpyrazol-4-yl)-1-(pyridin-2-ylmethyl)urea.
What is the SMILES notation for 1-cyclohexyl-3-(1-propan-2-ylpyrazol-4-yl)-1-(pyridin-2-ylmethyl)urea?
The canonical SMILES for 1-cyclohexyl-3-(1-propan-2-ylpyrazol-4-yl)-1-(pyridin-2-ylmethyl)urea is CC(C)n1cc(NC(=O)N(Cc2ccccn2)C2CCCCC2)cn1.
What is the InChIKey of 1-cyclohexyl-3-(1-propan-2-ylpyrazol-4-yl)-1-(pyridin-2-ylmethyl)urea?
The InChIKey is GRDJTNWEQXAQIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-15(2)24-14-17(12-21-24)22-19(25)23(18-9-4-3-5-10-18)13-16-8-6-7-11-20-16/h6-8,11-12,14-15,18H,3-5,9-10,13H2,1-2H3,(H,22,25).
What are the key properties of 1-cyclohexyl-3-(1-propan-2-ylpyrazol-4-yl)-1-(pyridin-2-ylmethyl)urea?
1-cyclohexyl-3-(1-propan-2-ylpyrazol-4-yl)-1-(pyridin-2-ylmethyl)urea has a molecular weight of 341.46 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(1-propan-2-ylpyrazol-4-yl)-1-(pyridin-2-ylmethyl)urea is sourced from PubChem (CID 118782661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).