1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-(2-hydroxy-4-methylpentyl)urea

C14H27N5O2 — CID 111475349

IUPAC1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-(2-hydroxy-4-methylpentyl)urea
SMILESCC(C)CC(O)CNC(=O)Nc1ccn(CCN(C)C)n1
InChIInChI=1S/C14H27N5O2/c1-11(2)9-12(20)10-15-14(21)16-13-5-6-19(17-13)8-7-18(3)4/h5-6,11-12,20H,7-10H2,1-4H3,(H2,15,16,17,21)
InChIKeyNPTYIJVLPLTDPN-UHFFFAOYSA-N
MW297.40 g/mol
LogP0.97
Rot. Bonds8

About 1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-(2-hydroxy-4-methylpentyl)urea

1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-(2-hydroxy-4-methylpentyl)urea (PubChem CID 111475349) has the molecular formula C14H27N5O2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-(2-hydroxy-4-methylpentyl)urea.

Molecular Properties

Compound Name1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-(2-hydroxy-4-methylpentyl)urea
PubChem CID111475349
Molecular FormulaC14H27N5O2
Molecular Weight297.40 g/mol
Exact Mass297.22
IUPAC Name1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-(2-hydroxy-4-methylpentyl)urea
SMILESCC(C)CC(O)CNC(=O)Nc1ccn(CCN(C)C)n1
InChIInChI=1S/C14H27N5O2/c1-11(2)9-12(20)10-15-14(21)16-13-5-6-19(17-13)8-7-18(3)4/h5-6,11-12,20H,7-10H2,1-4H3,(H2,15,16,17,21)
InChIKeyNPTYIJVLPLTDPN-UHFFFAOYSA-N
XLogP0.97
TPSA82.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-(2-hydroxy-4-methylpentyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-4-methylpentanamide
CID 119870197
4-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]pentanamide;dihydrochloride
CID 120565170
N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2-phenoxypropanamide
CID 60607724
(2S)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2-phenoxypropanamide
CID 95685516
1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea
CID 111475357
1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-(3-ethylphenyl)urea
CID 75494374
2-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]benzamide
CID 119946927
1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-(4-hydroxy-1-phenylbutyl)urea
CID 111475375
1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-[5-[(1S,2R)-2-methylcyclopropyl]-1H-pyrazol-3-yl]urea
CID 99835836
2-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2-phenylpropanamide
CID 120596230
tert-butyl N-[(2R)-1-[[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]amino]-1-oxopropan-2-yl]carbamate
CID 60622726
7-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]heptanamide;dihydrochloride
CID 119870128

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-(2-hydroxy-4-methylpentyl)urea?
The IUPAC name of 1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-(2-hydroxy-4-methylpentyl)urea (CID 111475349) is 1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-(2-hydroxy-4-methylpentyl)urea.
What is the SMILES notation for 1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-(2-hydroxy-4-methylpentyl)urea?
The canonical SMILES for 1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-(2-hydroxy-4-methylpentyl)urea is CC(C)CC(O)CNC(=O)Nc1ccn(CCN(C)C)n1.
What is the InChIKey of 1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-(2-hydroxy-4-methylpentyl)urea?
The InChIKey is NPTYIJVLPLTDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5O2/c1-11(2)9-12(20)10-15-14(21)16-13-5-6-19(17-13)8-7-18(3)4/h5-6,11-12,20H,7-10H2,1-4H3,(H2,15,16,17,21).
What are the key properties of 1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-(2-hydroxy-4-methylpentyl)urea?
1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-(2-hydroxy-4-methylpentyl)urea has a molecular weight of 297.40 g/mol, XLogP of 0.97, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-(2-hydroxy-4-methylpentyl)urea is sourced from PubChem (CID 111475349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).