4-(3-chlorophenyl)-5-(cyclobutylmethyl)-1H-pyrazol-3-amine

C14H16ClN3 — CID 103163943

IUPAC4-(3-chlorophenyl)-5-(cyclobutylmethyl)-1H-pyrazol-3-amine
SMILESNc1n[nH]c(CC2CCC2)c1-c1cccc(Cl)c1
InChIInChI=1S/C14H16ClN3/c15-11-6-2-5-10(8-11)13-12(17-18-14(13)16)7-9-3-1-4-9/h2,5-6,8-9H,1,3-4,7H2,(H3,16,17,18)
InChIKeyOKWMIUSBGWOJKK-UHFFFAOYSA-N
MW261.76 g/mol
LogP3.65
Rot. Bonds3

About 4-(3-chlorophenyl)-5-(cyclobutylmethyl)-1H-pyrazol-3-amine

4-(3-chlorophenyl)-5-(cyclobutylmethyl)-1H-pyrazol-3-amine (PubChem CID 103163943) has the molecular formula C14H16ClN3 and a molecular weight of 261.76 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-5-(cyclobutylmethyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-(3-chlorophenyl)-5-(cyclobutylmethyl)-1H-pyrazol-3-amine
PubChem CID103163943
Molecular FormulaC14H16ClN3
Molecular Weight261.76 g/mol
Exact Mass261.10
IUPAC Name4-(3-chlorophenyl)-5-(cyclobutylmethyl)-1H-pyrazol-3-amine
SMILESNc1n[nH]c(CC2CCC2)c1-c1cccc(Cl)c1
InChIInChI=1S/C14H16ClN3/c15-11-6-2-5-10(8-11)13-12(17-18-14(13)16)7-9-3-1-4-9/h2,5-6,8-9H,1,3-4,7H2,(H3,16,17,18)
InChIKeyOKWMIUSBGWOJKK-UHFFFAOYSA-N
XLogP3.65
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.76
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-(3-chlorophenyl)-5-(cyclobutylmethyl)-1H-pyrazol-3-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

5-(cyclobutylmethyl)-4-(2,6-dichlorophenyl)-1H-pyrazol-3-amine
CID 103163941
5-(cyclohexylmethyl)-4-(3-methylphenyl)-1H-pyrazol-3-amine
CID 62829064
5-(cycloheptylmethyl)-4-(3-methylphenyl)-1H-pyrazol-3-amine
CID 114458043
4-(3-chlorophenyl)-5-cycloheptyl-1H-pyrazol-3-amine
CID 63525557
5-(cyclohexylmethyl)-4-(3,5-difluorophenyl)-1H-pyrazol-3-amine
CID 61496781
5-(2-cyclopentylethyl)-4-(3,4-dichlorophenyl)-1H-pyrazol-3-amine
CID 63525732
5-(cyclobutylmethyl)-4-(2-methoxyphenyl)-1H-pyrazol-3-amine
CID 103163957
5-(cyclopropylmethyl)-4-pyridin-2-yl-1H-pyrazol-3-amine
CID 80521154
5-(3-chlorophenyl)-4-(3,4-dichlorophenyl)-1H-pyrazol-3-amine
CID 63524514
4-(3-chlorophenyl)-5-(5-methylfuran-3-yl)-1H-pyrazol-3-amine
CID 114821013
4-(3-chlorophenyl)-5-(2,3-difluorophenyl)-1H-pyrazol-3-amine
CID 62648934
4-(3-chlorophenyl)-5-(5-iodothiophen-3-yl)-1H-pyrazol-3-amine
CID 79692878

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-5-(cyclobutylmethyl)-1H-pyrazol-3-amine?
The IUPAC name of 4-(3-chlorophenyl)-5-(cyclobutylmethyl)-1H-pyrazol-3-amine (CID 103163943) is 4-(3-chlorophenyl)-5-(cyclobutylmethyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 4-(3-chlorophenyl)-5-(cyclobutylmethyl)-1H-pyrazol-3-amine?
The canonical SMILES for 4-(3-chlorophenyl)-5-(cyclobutylmethyl)-1H-pyrazol-3-amine is Nc1n[nH]c(CC2CCC2)c1-c1cccc(Cl)c1.
What is the InChIKey of 4-(3-chlorophenyl)-5-(cyclobutylmethyl)-1H-pyrazol-3-amine?
The InChIKey is OKWMIUSBGWOJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3/c15-11-6-2-5-10(8-11)13-12(17-18-14(13)16)7-9-3-1-4-9/h2,5-6,8-9H,1,3-4,7H2,(H3,16,17,18).
What are the key properties of 4-(3-chlorophenyl)-5-(cyclobutylmethyl)-1H-pyrazol-3-amine?
4-(3-chlorophenyl)-5-(cyclobutylmethyl)-1H-pyrazol-3-amine has a molecular weight of 261.76 g/mol, XLogP of 3.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-5-(cyclobutylmethyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 103163943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).