N-[[1-(3-chloro-4-methylphenyl)-5-propylpyrazol-4-yl]methyl]cyclopropanamine

C17H22ClN3 — CID 66440239

IUPACN-[[1-(3-chloro-4-methylphenyl)-5-propylpyrazol-4-yl]methyl]cyclopropanamine
SMILESCCCc1c(CNC2CC2)cnn1-c1ccc(C)c(Cl)c1
InChIInChI=1S/C17H22ClN3/c1-3-4-17-13(10-19-14-6-7-14)11-20-21(17)15-8-5-12(2)16(18)9-15/h5,8-9,11,14,19H,3-4,6-7,10H2,1-2H3
InChIKeyOVMOXZONMMBUHB-UHFFFAOYSA-N
MW303.84 g/mol
LogP4.04
Rot. Bonds6

About N-[[1-(3-chloro-4-methylphenyl)-5-propylpyrazol-4-yl]methyl]cyclopropanamine

N-[[1-(3-chloro-4-methylphenyl)-5-propylpyrazol-4-yl]methyl]cyclopropanamine (PubChem CID 66440239) has the molecular formula C17H22ClN3 and a molecular weight of 303.84 g/mol. Its IUPAC name is N-[[1-(3-chloro-4-methylphenyl)-5-propylpyrazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(3-chloro-4-methylphenyl)-5-propylpyrazol-4-yl]methyl]cyclopropanamine
PubChem CID66440239
Molecular FormulaC17H22ClN3
Molecular Weight303.84 g/mol
Exact Mass303.15
IUPAC NameN-[[1-(3-chloro-4-methylphenyl)-5-propylpyrazol-4-yl]methyl]cyclopropanamine
SMILESCCCc1c(CNC2CC2)cnn1-c1ccc(C)c(Cl)c1
InChIInChI=1S/C17H22ClN3/c1-3-4-17-13(10-19-14-6-7-14)11-20-21(17)15-8-5-12(2)16(18)9-15/h5,8-9,11,14,19H,3-4,6-7,10H2,1-2H3
InChIKeyOVMOXZONMMBUHB-UHFFFAOYSA-N
XLogP4.04
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.84
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3-chloro-4-methylphenyl)-5-propylpyrazol-4-yl]methanol
CID 66440403
N-[[1-(4-methoxyphenyl)-5-propylpyrazol-4-yl]methyl]cyclopropanamine
CID 66440578
N-[[1-(3,4-dichlorophenyl)-5-methylpyrazol-4-yl]methyl]cyclopropanamine
CID 54982355
N-[[1-(3-chloro-4-methylphenyl)-5-ethylpyrazol-4-yl]methyl]propan-1-amine
CID 66441050
N-[[1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazol-4-yl]methyl]ethanamine
CID 66440038
N-[[1-(2-fluorophenyl)-5-propylpyrazol-4-yl]methyl]cyclopropanamine
CID 66441277
N-[[1-(4-chloro-3-fluorophenyl)-5-propylpyrazol-4-yl]methyl]propan-1-amine
CID 79132548
N-[[1-(5-bromo-2-pyridinyl)-5-propylpyrazol-4-yl]methyl]cyclopropanamine
CID 66440205
N-[[1-(4-bromophenyl)-5-ethylpyrazol-4-yl]methyl]cyclopropanamine
CID 66440971
4-(bromomethyl)-1-(3-chloro-4-methylphenyl)-5-ethylpyrazole
CID 66438579
1-[1-(3,4-dichlorophenyl)-5-ethylpyrazol-4-yl]-N-methylmethanamine
CID 66441666
N-[[1-(3,4-dichlorophenyl)-5-methylpyrazol-4-yl]methyl]propan-1-amine
CID 54982311

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-chloro-4-methylphenyl)-5-propylpyrazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(3-chloro-4-methylphenyl)-5-propylpyrazol-4-yl]methyl]cyclopropanamine (CID 66440239) is N-[[1-(3-chloro-4-methylphenyl)-5-propylpyrazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(3-chloro-4-methylphenyl)-5-propylpyrazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(3-chloro-4-methylphenyl)-5-propylpyrazol-4-yl]methyl]cyclopropanamine is CCCc1c(CNC2CC2)cnn1-c1ccc(C)c(Cl)c1.
What is the InChIKey of N-[[1-(3-chloro-4-methylphenyl)-5-propylpyrazol-4-yl]methyl]cyclopropanamine?
The InChIKey is OVMOXZONMMBUHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3/c1-3-4-17-13(10-19-14-6-7-14)11-20-21(17)15-8-5-12(2)16(18)9-15/h5,8-9,11,14,19H,3-4,6-7,10H2,1-2H3.
What are the key properties of N-[[1-(3-chloro-4-methylphenyl)-5-propylpyrazol-4-yl]methyl]cyclopropanamine?
N-[[1-(3-chloro-4-methylphenyl)-5-propylpyrazol-4-yl]methyl]cyclopropanamine has a molecular weight of 303.84 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-chloro-4-methylphenyl)-5-propylpyrazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 66440239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).