1-cyclopentyl-1-(oxolan-2-ylmethyl)-3-(1-pyridin-4-ylpyrazol-4-yl)urea

C19H25N5O2 — CID 71861211

IUPAC1-cyclopentyl-1-(oxolan-2-ylmethyl)-3-(1-pyridin-4-ylpyrazol-4-yl)urea
SMILESO=C(Nc1cnn(-c2ccncc2)c1)N(CC1CCCO1)C1CCCC1
InChIInChI=1S/C19H25N5O2/c25-19(22-15-12-21-24(13-15)17-7-9-20-10-8-17)23(16-4-1-2-5-16)14-18-6-3-11-26-18/h7-10,12-13,16,18H,1-6,11,14H2,(H,22,25)
InChIKeyUOXUMFBUBSNUDC-UHFFFAOYSA-N
MW355.44 g/mol
LogP3.22
Rot. Bonds5

About 1-cyclopentyl-1-(oxolan-2-ylmethyl)-3-(1-pyridin-4-ylpyrazol-4-yl)urea

1-cyclopentyl-1-(oxolan-2-ylmethyl)-3-(1-pyridin-4-ylpyrazol-4-yl)urea (PubChem CID 71861211) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 1-cyclopentyl-1-(oxolan-2-ylmethyl)-3-(1-pyridin-4-ylpyrazol-4-yl)urea.

Molecular Properties

Compound Name1-cyclopentyl-1-(oxolan-2-ylmethyl)-3-(1-pyridin-4-ylpyrazol-4-yl)urea
PubChem CID71861211
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name1-cyclopentyl-1-(oxolan-2-ylmethyl)-3-(1-pyridin-4-ylpyrazol-4-yl)urea
SMILESO=C(Nc1cnn(-c2ccncc2)c1)N(CC1CCCO1)C1CCCC1
InChIInChI=1S/C19H25N5O2/c25-19(22-15-12-21-24(13-15)17-7-9-20-10-8-17)23(16-4-1-2-5-16)14-18-6-3-11-26-18/h7-10,12-13,16,18H,1-6,11,14H2,(H,22,25)
InChIKeyUOXUMFBUBSNUDC-UHFFFAOYSA-N
XLogP3.22
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclopentyl-3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1-(oxolan-2-ylmethyl)urea
CID 71861206
1-cyclopentyl-3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1-[[(2R)-oxolan-2-yl]methyl]urea
CID 97010472
N-[1-[4-[cyclobutylmethyl(oxolan-2-ylmethyl)carbamoyl]phenyl]pyrazol-4-yl]oxane-4-carboxamide
CID 45200035
1,1-bis[[(2R)-oxolan-2-yl]methyl]-3-[4-(pyridin-4-ylmethyl)phenyl]urea
CID 52520502
1-methyl-1-[[(2S)-oxan-2-yl]methyl]-3-(4-pyrazol-1-ylphenyl)urea
CID 124572395
1-methyl-1-(oxan-2-ylmethyl)-3-(4-pyrazol-1-ylphenyl)urea
CID 118786796
N-(1-pyridin-4-ylpyrazol-4-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide
CID 136533940
1-(cyclobutylmethyl)-1-methyl-3-[1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-yl]urea
CID 96567749
1-ethyl-1-(oxan-2-ylmethyl)-3-[4-(tetrazol-1-yl)phenyl]urea
CID 72912485
N-[1-(2-chlorophenyl)pyrazol-4-yl]-2-[(2S)-oxolan-2-yl]acetamide
CID 95614424
2,2,2-trifluoro-N-(1-pyridin-4-ylpyrazol-4-yl)acetamide
CID 110470975
N-cyclopentyl-N-(oxolan-2-ylmethyl)thiadiazole-5-carboxamide
CID 136528047

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-1-(oxolan-2-ylmethyl)-3-(1-pyridin-4-ylpyrazol-4-yl)urea?
The IUPAC name of 1-cyclopentyl-1-(oxolan-2-ylmethyl)-3-(1-pyridin-4-ylpyrazol-4-yl)urea (CID 71861211) is 1-cyclopentyl-1-(oxolan-2-ylmethyl)-3-(1-pyridin-4-ylpyrazol-4-yl)urea.
What is the SMILES notation for 1-cyclopentyl-1-(oxolan-2-ylmethyl)-3-(1-pyridin-4-ylpyrazol-4-yl)urea?
The canonical SMILES for 1-cyclopentyl-1-(oxolan-2-ylmethyl)-3-(1-pyridin-4-ylpyrazol-4-yl)urea is O=C(Nc1cnn(-c2ccncc2)c1)N(CC1CCCO1)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-1-(oxolan-2-ylmethyl)-3-(1-pyridin-4-ylpyrazol-4-yl)urea?
The InChIKey is UOXUMFBUBSNUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c25-19(22-15-12-21-24(13-15)17-7-9-20-10-8-17)23(16-4-1-2-5-16)14-18-6-3-11-26-18/h7-10,12-13,16,18H,1-6,11,14H2,(H,22,25).
What are the key properties of 1-cyclopentyl-1-(oxolan-2-ylmethyl)-3-(1-pyridin-4-ylpyrazol-4-yl)urea?
1-cyclopentyl-1-(oxolan-2-ylmethyl)-3-(1-pyridin-4-ylpyrazol-4-yl)urea has a molecular weight of 355.44 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-1-(oxolan-2-ylmethyl)-3-(1-pyridin-4-ylpyrazol-4-yl)urea is sourced from PubChem (CID 71861211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).