4-(2-aminopropyl)-N-[(4-chlorophenyl)methyl]-N,1,3-trimethylpyrazol-5-amine

C16H23ClN4 — CID 63815150

IUPAC4-(2-aminopropyl)-N-[(4-chlorophenyl)methyl]-N,1,3-trimethylpyrazol-5-amine
SMILESCc1nn(C)c(N(C)Cc2ccc(Cl)cc2)c1CC(C)N
InChIInChI=1S/C16H23ClN4/c1-11(18)9-15-12(2)19-21(4)16(15)20(3)10-13-5-7-14(17)8-6-13/h5-8,11H,9-10,18H2,1-4H3
InChIKeyIMCLZRVBLSHALG-UHFFFAOYSA-N
MW306.84 g/mol
LogP2.91
Rot. Bonds5

About 4-(2-aminopropyl)-N-[(4-chlorophenyl)methyl]-N,1,3-trimethylpyrazol-5-amine

4-(2-aminopropyl)-N-[(4-chlorophenyl)methyl]-N,1,3-trimethylpyrazol-5-amine (PubChem CID 63815150) has the molecular formula C16H23ClN4 and a molecular weight of 306.84 g/mol. Its IUPAC name is 4-(2-aminopropyl)-N-[(4-chlorophenyl)methyl]-N,1,3-trimethylpyrazol-5-amine.

Molecular Properties

Compound Name4-(2-aminopropyl)-N-[(4-chlorophenyl)methyl]-N,1,3-trimethylpyrazol-5-amine
PubChem CID63815150
Molecular FormulaC16H23ClN4
Molecular Weight306.84 g/mol
Exact Mass306.16
IUPAC Name4-(2-aminopropyl)-N-[(4-chlorophenyl)methyl]-N,1,3-trimethylpyrazol-5-amine
SMILESCc1nn(C)c(N(C)Cc2ccc(Cl)cc2)c1CC(C)N
InChIInChI=1S/C16H23ClN4/c1-11(18)9-15-12(2)19-21(4)16(15)20(3)10-13-5-7-14(17)8-6-13/h5-8,11H,9-10,18H2,1-4H3
InChIKeyIMCLZRVBLSHALG-UHFFFAOYSA-N
XLogP2.91
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.84
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-aminoethyl)-N-benzyl-N,1,3-trimethylpyrazol-5-amine
CID 63784911
4-(2-aminopropyl)-N-(4-fluorophenyl)-N,1,3-trimethylpyrazol-5-amine
CID 63815275
4-(2-aminopropyl)-N,1,3-trimethyl-N-(2-methylsulfonylethyl)pyrazol-5-amine
CID 79859068
4-(2-aminopropyl)-N,1,3-trimethyl-N-(2-pyridin-2-ylethyl)pyrazol-5-amine
CID 63785609
4-(2-aminopropyl)-1,3-dimethyl-N-propan-2-yl-N-propylpyrazol-5-amine
CID 63785131
4-(2-aminopropyl)-1,3-dimethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrazol-5-amine
CID 63817228
4-(2-aminopropyl)-N-ethyl-N-(furan-2-ylmethyl)-1,3-dimethylpyrazol-5-amine
CID 63816018
4-(chloromethyl)-N-[1-(4-chlorophenyl)ethyl]-N,1,3-trimethylpyrazol-5-amine
CID 62979740
4-(2-aminoethyl)-N-[(2-chlorophenyl)methyl]-N,1,3-trimethylpyrazol-5-amine
CID 63785903
1-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine
CID 23005892
2-(2-aminopropyl)-4-chloro-N-[(4-fluorophenyl)methyl]-N-methylaniline
CID 114861654
4-(bromomethyl)-N-[1-(4-chlorophenyl)ethyl]-N,1,3-trimethylpyrazol-5-amine
CID 107083062

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopropyl)-N-[(4-chlorophenyl)methyl]-N,1,3-trimethylpyrazol-5-amine?
The IUPAC name of 4-(2-aminopropyl)-N-[(4-chlorophenyl)methyl]-N,1,3-trimethylpyrazol-5-amine (CID 63815150) is 4-(2-aminopropyl)-N-[(4-chlorophenyl)methyl]-N,1,3-trimethylpyrazol-5-amine.
What is the SMILES notation for 4-(2-aminopropyl)-N-[(4-chlorophenyl)methyl]-N,1,3-trimethylpyrazol-5-amine?
The canonical SMILES for 4-(2-aminopropyl)-N-[(4-chlorophenyl)methyl]-N,1,3-trimethylpyrazol-5-amine is Cc1nn(C)c(N(C)Cc2ccc(Cl)cc2)c1CC(C)N.
What is the InChIKey of 4-(2-aminopropyl)-N-[(4-chlorophenyl)methyl]-N,1,3-trimethylpyrazol-5-amine?
The InChIKey is IMCLZRVBLSHALG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN4/c1-11(18)9-15-12(2)19-21(4)16(15)20(3)10-13-5-7-14(17)8-6-13/h5-8,11H,9-10,18H2,1-4H3.
What are the key properties of 4-(2-aminopropyl)-N-[(4-chlorophenyl)methyl]-N,1,3-trimethylpyrazol-5-amine?
4-(2-aminopropyl)-N-[(4-chlorophenyl)methyl]-N,1,3-trimethylpyrazol-5-amine has a molecular weight of 306.84 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopropyl)-N-[(4-chlorophenyl)methyl]-N,1,3-trimethylpyrazol-5-amine is sourced from PubChem (CID 63815150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).