N-[(4-chloro-1-methylpyrazol-5-yl)methyl]cyclobutanamine

C9H14ClN3 — CID 130693971

IUPACN-[(4-chloro-1-methylpyrazol-5-yl)methyl]cyclobutanamine
SMILESCn1ncc(Cl)c1CNC1CCC1
InChIInChI=1S/C9H14ClN3/c1-13-9(8(10)5-12-13)6-11-7-3-2-4-7/h5,7,11H,2-4,6H2,1H3
InChIKeyODDMZPZNCVMWLF-UHFFFAOYSA-N
MW199.68 g/mol
LogP1.72
Rot. Bonds3

About N-[(4-chloro-1-methylpyrazol-5-yl)methyl]cyclobutanamine

N-[(4-chloro-1-methylpyrazol-5-yl)methyl]cyclobutanamine (PubChem CID 130693971) has the molecular formula C9H14ClN3 and a molecular weight of 199.68 g/mol. Its IUPAC name is N-[(4-chloro-1-methylpyrazol-5-yl)methyl]cyclobutanamine.

Molecular Properties

Compound NameN-[(4-chloro-1-methylpyrazol-5-yl)methyl]cyclobutanamine
PubChem CID130693971
Molecular FormulaC9H14ClN3
Molecular Weight199.68 g/mol
Exact Mass199.09
IUPAC NameN-[(4-chloro-1-methylpyrazol-5-yl)methyl]cyclobutanamine
SMILESCn1ncc(Cl)c1CNC1CCC1
InChIInChI=1S/C9H14ClN3/c1-13-9(8(10)5-12-13)6-11-7-3-2-4-7/h5,7,11H,2-4,6H2,1H3
InChIKeyODDMZPZNCVMWLF-UHFFFAOYSA-N
XLogP1.72
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.68
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(cyclopropylamino)methyl]-1-methylpyrazol-4-amine
CID 117217706
N-[(4-chloro-1-propan-2-ylpyrazol-5-yl)methyl]cyclopropanamine
CID 114652139
N-[3-(4-chloro-1-methylpyrazol-5-yl)-2-methylpropyl]cyclopropanamine
CID 114664509
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methylcycloheptan-1-amine
CID 102795070
4-tert-butyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]cycloheptan-1-amine
CID 103859312
3-[(4-chloro-1-methylpyrazol-5-yl)methyl]-3,9-diazabicyclo[3.3.1]nonane;hydrochloride
CID 120845647
4-[(cyclobutylamino)methyl]-1-ethylpyrazol-5-amine
CID 117216682
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-1-methylazetidin-3-amine
CID 130834100
1-methyl-5-[[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]methyl]pyrazole-4-carboxylic acid
CID 116631301
N-[2-(1,5-dimethylpyrazol-4-yl)ethyl]cyclopentanamine
CID 115702967
3-(4-chloro-1-methylpyrazol-5-yl)-N-ethylcyclopentan-1-amine
CID 114664100
4-[(1,5-dimethylpyrazol-4-yl)methylamino]cyclohexan-1-ol
CID 79579556

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-1-methylpyrazol-5-yl)methyl]cyclobutanamine?
The IUPAC name of N-[(4-chloro-1-methylpyrazol-5-yl)methyl]cyclobutanamine (CID 130693971) is N-[(4-chloro-1-methylpyrazol-5-yl)methyl]cyclobutanamine.
What is the SMILES notation for N-[(4-chloro-1-methylpyrazol-5-yl)methyl]cyclobutanamine?
The canonical SMILES for N-[(4-chloro-1-methylpyrazol-5-yl)methyl]cyclobutanamine is Cn1ncc(Cl)c1CNC1CCC1.
What is the InChIKey of N-[(4-chloro-1-methylpyrazol-5-yl)methyl]cyclobutanamine?
The InChIKey is ODDMZPZNCVMWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3/c1-13-9(8(10)5-12-13)6-11-7-3-2-4-7/h5,7,11H,2-4,6H2,1H3.
What are the key properties of N-[(4-chloro-1-methylpyrazol-5-yl)methyl]cyclobutanamine?
N-[(4-chloro-1-methylpyrazol-5-yl)methyl]cyclobutanamine has a molecular weight of 199.68 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-1-methylpyrazol-5-yl)methyl]cyclobutanamine is sourced from PubChem (CID 130693971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).