1-[2-(4-acetylpiperazin-1-yl)ethyl]-3-(1H-pyrazol-4-yl)urea

C12H20N6O2 — CID 71893159

IUPAC1-[2-(4-acetylpiperazin-1-yl)ethyl]-3-(1H-pyrazol-4-yl)urea
SMILESCC(=O)N1CCN(CCNC(=O)Nc2cn[nH]c2)CC1
InChIInChI=1S/C12H20N6O2/c1-10(19)18-6-4-17(5-7-18)3-2-13-12(20)16-11-8-14-15-9-11/h8-9H,2-7H2,1H3,(H,14,15)(H2,13,16,20)
InChIKeyTWTNRNKENGZPGP-UHFFFAOYSA-N
MW280.33 g/mol
LogP-0.30
Rot. Bonds4

About 1-[2-(4-acetylpiperazin-1-yl)ethyl]-3-(1H-pyrazol-4-yl)urea

1-[2-(4-acetylpiperazin-1-yl)ethyl]-3-(1H-pyrazol-4-yl)urea (PubChem CID 71893159) has the molecular formula C12H20N6O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 1-[2-(4-acetylpiperazin-1-yl)ethyl]-3-(1H-pyrazol-4-yl)urea.

Molecular Properties

Compound Name1-[2-(4-acetylpiperazin-1-yl)ethyl]-3-(1H-pyrazol-4-yl)urea
PubChem CID71893159
Molecular FormulaC12H20N6O2
Molecular Weight280.33 g/mol
Exact Mass280.16
IUPAC Name1-[2-(4-acetylpiperazin-1-yl)ethyl]-3-(1H-pyrazol-4-yl)urea
SMILESCC(=O)N1CCN(CCNC(=O)Nc2cn[nH]c2)CC1
InChIInChI=1S/C12H20N6O2/c1-10(19)18-6-4-17(5-7-18)3-2-13-12(20)16-11-8-14-15-9-11/h8-9H,2-7H2,1H3,(H,14,15)(H2,13,16,20)
InChIKeyTWTNRNKENGZPGP-UHFFFAOYSA-N
XLogP-0.30
TPSA93.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[2-(4-acetylpiperazin-1-yl)ethyl]-3-(1H-pyrazol-4-yl)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

1,3-dimethyl-2,4-dioxo-6-(1H-pyrazol-4-ylamino)pyrimidine-5-carbonitrile
CID 37705238
1-(2-morpholin-4-ylpropyl)-3-(1H-pyrazol-4-yl)urea
CID 53503374
1-(3-methyl-2-morpholin-4-ylbutyl)-3-(1H-pyrazol-4-yl)urea
CID 53503713
1-(1H-pyrazol-4-yl)-3-(2-pyrrolidin-1-ylpropyl)urea
CID 71893198
1-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]-3-(1H-pyrazol-4-yl)urea
CID 53503098
N-methyl-2-[4-(1H-pyrazol-4-ylcarbamoylamino)piperidin-1-yl]acetamide
CID 53503350
1-[2-(dimethylamino)propyl]-3-(1H-pyrazol-4-yl)urea
CID 53505344
1-(2-methoxyethyl)-3-(1H-pyrazol-4-yl)-1-(2,2,2-trifluoroethyl)urea
CID 56788684
1-(1H-pyrazol-4-yl)-3-(2-pyrrolidin-1-ylbutyl)urea
CID 71893203
1-butyl-3-(1H-pyrazol-4-yl)-1-(2,2,2-trifluoroethyl)urea
CID 72045102
1-[2-[cyclohexyl(methyl)amino]ethyl]-3-(1H-pyrazol-4-yl)urea
CID 72046986
(2S)-2-N,2-N-diethyl-1-N-(1H-pyrazol-4-yl)pyrrolidine-1,2-dicarboxamide
CID 95628337

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-acetylpiperazin-1-yl)ethyl]-3-(1H-pyrazol-4-yl)urea?
The IUPAC name of 1-[2-(4-acetylpiperazin-1-yl)ethyl]-3-(1H-pyrazol-4-yl)urea (CID 71893159) is 1-[2-(4-acetylpiperazin-1-yl)ethyl]-3-(1H-pyrazol-4-yl)urea.
What is the SMILES notation for 1-[2-(4-acetylpiperazin-1-yl)ethyl]-3-(1H-pyrazol-4-yl)urea?
The canonical SMILES for 1-[2-(4-acetylpiperazin-1-yl)ethyl]-3-(1H-pyrazol-4-yl)urea is CC(=O)N1CCN(CCNC(=O)Nc2cn[nH]c2)CC1.
What is the InChIKey of 1-[2-(4-acetylpiperazin-1-yl)ethyl]-3-(1H-pyrazol-4-yl)urea?
The InChIKey is TWTNRNKENGZPGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6O2/c1-10(19)18-6-4-17(5-7-18)3-2-13-12(20)16-11-8-14-15-9-11/h8-9H,2-7H2,1H3,(H,14,15)(H2,13,16,20).
What are the key properties of 1-[2-(4-acetylpiperazin-1-yl)ethyl]-3-(1H-pyrazol-4-yl)urea?
1-[2-(4-acetylpiperazin-1-yl)ethyl]-3-(1H-pyrazol-4-yl)urea has a molecular weight of 280.33 g/mol, XLogP of -0.30, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-acetylpiperazin-1-yl)ethyl]-3-(1H-pyrazol-4-yl)urea is sourced from PubChem (CID 71893159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).