N-[[1-(2-chlorophenyl)-5-cyclopropylpyrazol-4-yl]methyl]-2-methylpropan-2-amine

C17H22ClN3 — CID 66440904

IUPACN-[[1-(2-chlorophenyl)-5-cyclopropylpyrazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cnn(-c2ccccc2Cl)c1C1CC1
InChIInChI=1S/C17H22ClN3/c1-17(2,3)19-10-13-11-20-21(16(13)12-8-9-12)15-7-5-4-6-14(15)18/h4-7,11-12,19H,8-10H2,1-3H3
InChIKeyXRWWKESVNIFUNP-UHFFFAOYSA-N
MW303.84 g/mol
LogP4.29
Rot. Bonds4

About N-[[1-(2-chlorophenyl)-5-cyclopropylpyrazol-4-yl]methyl]-2-methylpropan-2-amine

N-[[1-(2-chlorophenyl)-5-cyclopropylpyrazol-4-yl]methyl]-2-methylpropan-2-amine (PubChem CID 66440904) has the molecular formula C17H22ClN3 and a molecular weight of 303.84 g/mol. Its IUPAC name is N-[[1-(2-chlorophenyl)-5-cyclopropylpyrazol-4-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[1-(2-chlorophenyl)-5-cyclopropylpyrazol-4-yl]methyl]-2-methylpropan-2-amine
PubChem CID66440904
Molecular FormulaC17H22ClN3
Molecular Weight303.84 g/mol
Exact Mass303.15
IUPAC NameN-[[1-(2-chlorophenyl)-5-cyclopropylpyrazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cnn(-c2ccccc2Cl)c1C1CC1
InChIInChI=1S/C17H22ClN3/c1-17(2,3)19-10-13-11-20-21(16(13)12-8-9-12)15-7-5-4-6-14(15)18/h4-7,11-12,19H,8-10H2,1-3H3
InChIKeyXRWWKESVNIFUNP-UHFFFAOYSA-N
XLogP4.29
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.84
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[1-(2-chlorophenyl)-5-cyclopropylpyrazol-4-yl]methyl]-2-methylpropan-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

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-chlorophenyl)-5-cyclopropylpyrazol-4-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[1-(2-chlorophenyl)-5-cyclopropylpyrazol-4-yl]methyl]-2-methylpropan-2-amine (CID 66440904) is N-[[1-(2-chlorophenyl)-5-cyclopropylpyrazol-4-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[1-(2-chlorophenyl)-5-cyclopropylpyrazol-4-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[1-(2-chlorophenyl)-5-cyclopropylpyrazol-4-yl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1cnn(-c2ccccc2Cl)c1C1CC1.
What is the InChIKey of N-[[1-(2-chlorophenyl)-5-cyclopropylpyrazol-4-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is XRWWKESVNIFUNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3/c1-17(2,3)19-10-13-11-20-21(16(13)12-8-9-12)15-7-5-4-6-14(15)18/h4-7,11-12,19H,8-10H2,1-3H3.
What are the key properties of N-[[1-(2-chlorophenyl)-5-cyclopropylpyrazol-4-yl]methyl]-2-methylpropan-2-amine?
N-[[1-(2-chlorophenyl)-5-cyclopropylpyrazol-4-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 303.84 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-chlorophenyl)-5-cyclopropylpyrazol-4-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 66440904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).