1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[4-(1H-pyrazol-5-yl)phenyl]urea

C15H18N4O2 — CID 111573254

IUPAC1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[4-(1H-pyrazol-5-yl)phenyl]urea
SMILESO=C(NCC1(CO)CC1)Nc1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C15H18N4O2/c20-10-15(6-7-15)9-16-14(21)18-12-3-1-11(2-4-12)13-5-8-17-19-13/h1-5,8,20H,6-7,9-10H2,(H,17,19)(H2,16,18,21)
InChIKeyPBQFGEIZSXZAMT-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.97
Rot. Bonds5

About 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[4-(1H-pyrazol-5-yl)phenyl]urea

1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[4-(1H-pyrazol-5-yl)phenyl]urea (PubChem CID 111573254) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[4-(1H-pyrazol-5-yl)phenyl]urea.

Molecular Properties

Compound Name1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[4-(1H-pyrazol-5-yl)phenyl]urea
PubChem CID111573254
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[4-(1H-pyrazol-5-yl)phenyl]urea
SMILESO=C(NCC1(CO)CC1)Nc1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C15H18N4O2/c20-10-15(6-7-15)9-16-14(21)18-12-3-1-11(2-4-12)13-5-8-17-19-13/h1-5,8,20H,6-7,9-10H2,(H,17,19)(H2,16,18,21)
InChIKeyPBQFGEIZSXZAMT-UHFFFAOYSA-N
XLogP1.97
TPSA90.04 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[2-(hydroxymethyl)phenyl]methyl]-3-[4-(1H-pyrazol-5-yl)phenyl]urea
CID 111112930
1-(4-hydroxy-2,2-dimethylbutyl)-3-[4-(1H-pyrazol-5-yl)phenyl]urea
CID 111474787
1-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-phenylurea
CID 110642330
1-cyclobutyl-3-[4-(1H-pyrazol-5-yl)phenyl]urea
CID 115645017
1-[2-[(S)-tert-butylsulfinyl]ethyl]-3-[4-(1H-pyrazol-5-yl)phenyl]urea
CID 97007742
3-oxo-N-[4-(1H-pyrazol-5-yl)phenyl]butanamide
CID 61248448
1-phenyl-3-[3-(1H-pyrazol-5-yl)phenyl]urea
CID 60969581
2-amino-N-[2-oxo-2-[4-(1H-pyrazol-5-yl)anilino]ethyl]acetamide
CID 60850157
2-(azetidin-3-yl)-N-[4-(1H-pyrazol-5-yl)phenyl]propanamide
CID 116675831
1-(3,5-dichlorophenyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 103719568
N-[4-(1H-pyrazol-5-yl)phenyl]prop-2-ynamide
CID 61284929
1-[4-(ethoxymethyl)phenyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111573311

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[4-(1H-pyrazol-5-yl)phenyl]urea?
The IUPAC name of 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[4-(1H-pyrazol-5-yl)phenyl]urea (CID 111573254) is 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[4-(1H-pyrazol-5-yl)phenyl]urea.
What is the SMILES notation for 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[4-(1H-pyrazol-5-yl)phenyl]urea?
The canonical SMILES for 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[4-(1H-pyrazol-5-yl)phenyl]urea is O=C(NCC1(CO)CC1)Nc1ccc(-c2ccn[nH]2)cc1.
What is the InChIKey of 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[4-(1H-pyrazol-5-yl)phenyl]urea?
The InChIKey is PBQFGEIZSXZAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c20-10-15(6-7-15)9-16-14(21)18-12-3-1-11(2-4-12)13-5-8-17-19-13/h1-5,8,20H,6-7,9-10H2,(H,17,19)(H2,16,18,21).
What are the key properties of 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[4-(1H-pyrazol-5-yl)phenyl]urea?
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[4-(1H-pyrazol-5-yl)phenyl]urea has a molecular weight of 286.33 g/mol, XLogP of 1.97, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[4-(1H-pyrazol-5-yl)phenyl]urea is sourced from PubChem (CID 111573254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).