1-[[(1R,3R)-3-hydroxycyclopentyl]methyl]-3-[(1-phenylpyrazol-4-yl)methyl]urea

C17H22N4O2 — CID 99792880

IUPAC1-[[(1R,3R)-3-hydroxycyclopentyl]methyl]-3-[(1-phenylpyrazol-4-yl)methyl]urea
SMILESO=C(NCc1cnn(-c2ccccc2)c1)NC[C@@H]1CC[C@@H](O)C1
InChIInChI=1S/C17H22N4O2/c22-16-7-6-13(8-16)9-18-17(23)19-10-14-11-20-21(12-14)15-4-2-1-3-5-15/h1-5,11-13,16,22H,6-10H2,(H2,18,19,23)/t13-,16-/m1/s1
InChIKeyUFNLVQQFKBVLIR-CZUORRHYSA-N
MW314.39 g/mol
LogP1.83
Rot. Bonds5

About 1-[[(1R,3R)-3-hydroxycyclopentyl]methyl]-3-[(1-phenylpyrazol-4-yl)methyl]urea

1-[[(1R,3R)-3-hydroxycyclopentyl]methyl]-3-[(1-phenylpyrazol-4-yl)methyl]urea (PubChem CID 99792880) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-[[(1R,3R)-3-hydroxycyclopentyl]methyl]-3-[(1-phenylpyrazol-4-yl)methyl]urea.

Molecular Properties

Compound Name1-[[(1R,3R)-3-hydroxycyclopentyl]methyl]-3-[(1-phenylpyrazol-4-yl)methyl]urea
PubChem CID99792880
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name1-[[(1R,3R)-3-hydroxycyclopentyl]methyl]-3-[(1-phenylpyrazol-4-yl)methyl]urea
SMILESO=C(NCc1cnn(-c2ccccc2)c1)NC[C@@H]1CC[C@@H](O)C1
InChIInChI=1S/C17H22N4O2/c22-16-7-6-13(8-16)9-18-17(23)19-10-14-11-20-21(12-14)15-4-2-1-3-5-15/h1-5,11-13,16,22H,6-10H2,(H2,18,19,23)/t13-,16-/m1/s1
InChIKeyUFNLVQQFKBVLIR-CZUORRHYSA-N
XLogP1.83
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[[(1R,3R)-3-hydroxycyclopentyl]methyl]-3-[(1-phenylpyrazol-4-yl)methyl]urea with MolForge

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Related Compounds

3-[[(1-phenylpyrazol-4-yl)methylamino]methyl]cyclopentan-1-ol
CID 103270639
1-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-3-[(1-phenylpyrazol-4-yl)methyl]urea
CID 94067419
3-amino-N-[(1-phenylpyrazol-4-yl)methyl]cyclopentane-1-carboxamide
CID 66008582
N-[(3-hydroxycyclohexyl)methyl]-2-oxo-2-(1-phenylpyrazol-4-yl)acetamide
CID 111459881
1-[(1-hydroxycyclohexyl)methyl]-3-[(1-phenylpyrazol-4-yl)methyl]urea
CID 110936520
2-[(1-phenylpyrazol-4-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 60790945
N-[(4-ethylcyclohexyl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 167772668
1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[(1-phenylpyrazol-4-yl)methyl]urea
CID 111630456
N-[(3-hydroxycyclohexyl)methyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 111460494
3-(hydroxymethyl)-N-[(1-phenylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide
CID 111443610
1-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-3-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]urea
CID 86969971
3-(cyclopropylamino)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
CID 61259059

Frequently Asked Questions

What is the IUPAC name of 1-[[(1R,3R)-3-hydroxycyclopentyl]methyl]-3-[(1-phenylpyrazol-4-yl)methyl]urea?
The IUPAC name of 1-[[(1R,3R)-3-hydroxycyclopentyl]methyl]-3-[(1-phenylpyrazol-4-yl)methyl]urea (CID 99792880) is 1-[[(1R,3R)-3-hydroxycyclopentyl]methyl]-3-[(1-phenylpyrazol-4-yl)methyl]urea.
What is the SMILES notation for 1-[[(1R,3R)-3-hydroxycyclopentyl]methyl]-3-[(1-phenylpyrazol-4-yl)methyl]urea?
The canonical SMILES for 1-[[(1R,3R)-3-hydroxycyclopentyl]methyl]-3-[(1-phenylpyrazol-4-yl)methyl]urea is O=C(NCc1cnn(-c2ccccc2)c1)NC[C@@H]1CC[C@@H](O)C1.
What is the InChIKey of 1-[[(1R,3R)-3-hydroxycyclopentyl]methyl]-3-[(1-phenylpyrazol-4-yl)methyl]urea?
The InChIKey is UFNLVQQFKBVLIR-CZUORRHYSA-N. The full InChI is InChI=1S/C17H22N4O2/c22-16-7-6-13(8-16)9-18-17(23)19-10-14-11-20-21(12-14)15-4-2-1-3-5-15/h1-5,11-13,16,22H,6-10H2,(H2,18,19,23)/t13-,16-/m1/s1.
What are the key properties of 1-[[(1R,3R)-3-hydroxycyclopentyl]methyl]-3-[(1-phenylpyrazol-4-yl)methyl]urea?
1-[[(1R,3R)-3-hydroxycyclopentyl]methyl]-3-[(1-phenylpyrazol-4-yl)methyl]urea has a molecular weight of 314.39 g/mol, XLogP of 1.83, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1R,3R)-3-hydroxycyclopentyl]methyl]-3-[(1-phenylpyrazol-4-yl)methyl]urea is sourced from PubChem (CID 99792880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).