1-cyclopropyl-N-ethyl-4-(1-methylpyrazol-4-yl)butan-2-amine

C13H23N3 — CID 103011602

IUPAC1-cyclopropyl-N-ethyl-4-(1-methylpyrazol-4-yl)butan-2-amine
SMILESCCNC(CCc1cnn(C)c1)CC1CC1
InChIInChI=1S/C13H23N3/c1-3-14-13(8-11-4-5-11)7-6-12-9-15-16(2)10-12/h9-11,13-14H,3-8H2,1-2H3
InChIKeyJCJOCFJTWZNDNP-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.13
Rot. Bonds7

About 1-cyclopropyl-N-ethyl-4-(1-methylpyrazol-4-yl)butan-2-amine

1-cyclopropyl-N-ethyl-4-(1-methylpyrazol-4-yl)butan-2-amine (PubChem CID 103011602) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 1-cyclopropyl-N-ethyl-4-(1-methylpyrazol-4-yl)butan-2-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-ethyl-4-(1-methylpyrazol-4-yl)butan-2-amine
PubChem CID103011602
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name1-cyclopropyl-N-ethyl-4-(1-methylpyrazol-4-yl)butan-2-amine
SMILESCCNC(CCc1cnn(C)c1)CC1CC1
InChIInChI=1S/C13H23N3/c1-3-14-13(8-11-4-5-11)7-6-12-9-15-16(2)10-12/h9-11,13-14H,3-8H2,1-2H3
InChIKeyJCJOCFJTWZNDNP-UHFFFAOYSA-N
XLogP2.13
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-cyclopropyl-N-ethyl-4-(1-methylpyrazol-4-yl)butan-2-amine 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

N-ethyl-4-(1-methylpyrazol-4-yl)-1-(thian-4-yl)butan-2-amine
CID 103030225
2-N-ethyl-1-N,1-N-dimethyl-4-(1-methylpyrazol-4-yl)butane-1,2-diamine
CID 103011226
N-ethyl-4-(1-methylpyrazol-4-yl)-1-(oxolan-2-yl)butan-2-amine
CID 103009231
N-ethyl-1-(1-methylpyrazol-4-yl)hex-5-en-3-amine
CID 103012216
1-(3-ethoxycyclobutyl)-4-(1-methylpyrazol-4-yl)-N-propylbutan-2-amine
CID 103169839
1-N,1-N,3-N-triethyl-5-(1-methylpyrazol-4-yl)pentane-1,3-diamine
CID 103011204
1-cyclopropyl-4-(1-methylpyrazol-4-yl)butan-2-ol
CID 103008389
N-ethyl-1-(4-methylphenyl)sulfanyl-4-(1-methylpyrazol-4-yl)butan-2-amine
CID 103010863
N-ethyl-4-(1-methylpyrazol-4-yl)-1-phenoxybutan-2-amine
CID 103009843
N-methyl-4-(1-methylpyrazol-4-yl)-1-(oxolan-3-yl)butan-2-amine
CID 103012081
N-ethyl-1-(1-methylpyrazol-4-yl)-3-(oxolan-3-yl)propan-2-amine
CID 113362176
1-(3-bromophenyl)-N-ethyl-4-(1-methylpyrazol-4-yl)butan-2-amine
CID 103009375

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-ethyl-4-(1-methylpyrazol-4-yl)butan-2-amine?
The IUPAC name of 1-cyclopropyl-N-ethyl-4-(1-methylpyrazol-4-yl)butan-2-amine (CID 103011602) is 1-cyclopropyl-N-ethyl-4-(1-methylpyrazol-4-yl)butan-2-amine.
What is the SMILES notation for 1-cyclopropyl-N-ethyl-4-(1-methylpyrazol-4-yl)butan-2-amine?
The canonical SMILES for 1-cyclopropyl-N-ethyl-4-(1-methylpyrazol-4-yl)butan-2-amine is CCNC(CCc1cnn(C)c1)CC1CC1.
What is the InChIKey of 1-cyclopropyl-N-ethyl-4-(1-methylpyrazol-4-yl)butan-2-amine?
The InChIKey is JCJOCFJTWZNDNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-3-14-13(8-11-4-5-11)7-6-12-9-15-16(2)10-12/h9-11,13-14H,3-8H2,1-2H3.
What are the key properties of 1-cyclopropyl-N-ethyl-4-(1-methylpyrazol-4-yl)butan-2-amine?
1-cyclopropyl-N-ethyl-4-(1-methylpyrazol-4-yl)butan-2-amine has a molecular weight of 221.35 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-ethyl-4-(1-methylpyrazol-4-yl)butan-2-amine is sourced from PubChem (CID 103011602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).