N-[[2-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]cyclopentyl]methyl]cyclopropanamine

C17H28ClN3 — CID 81027132

IUPACN-[[2-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]cyclopentyl]methyl]cyclopropanamine
SMILESCCc1nn(CC)c(CC2CCCC2CNC2CC2)c1Cl
InChIInChI=1S/C17H28ClN3/c1-3-15-17(18)16(21(4-2)20-15)10-12-6-5-7-13(12)11-19-14-8-9-14/h12-14,19H,3-11H2,1-2H3
InChIKeyNAJVGXKQCKCPRJ-UHFFFAOYSA-N
MW309.89 g/mol
LogP3.83
Rot. Bonds7

About N-[[2-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]cyclopentyl]methyl]cyclopropanamine

N-[[2-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]cyclopentyl]methyl]cyclopropanamine (PubChem CID 81027132) has the molecular formula C17H28ClN3 and a molecular weight of 309.89 g/mol. Its IUPAC name is N-[[2-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]cyclopentyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]cyclopentyl]methyl]cyclopropanamine
PubChem CID81027132
Molecular FormulaC17H28ClN3
Molecular Weight309.89 g/mol
Exact Mass309.20
IUPAC NameN-[[2-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]cyclopentyl]methyl]cyclopropanamine
SMILESCCc1nn(CC)c(CC2CCCC2CNC2CC2)c1Cl
InChIInChI=1S/C17H28ClN3/c1-3-15-17(18)16(21(4-2)20-15)10-12-6-5-7-13(12)11-19-14-8-9-14/h12-14,19H,3-11H2,1-2H3
InChIKeyNAJVGXKQCKCPRJ-UHFFFAOYSA-N
XLogP3.83
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.89
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]cyclopentyl]-N-methylmethanamine
CID 81032643
2-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]cycloheptane-1-carboxylic acid
CID 81013078
3-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-N-ethyloxan-4-amine
CID 106469313
N-[[2-[(1,3-diethylpyrazol-5-yl)methyl]cyclopentyl]methyl]cyclopropanamine
CID 81033085
3-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]oxan-4-amine
CID 106468968
N-[[1-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]triazol-4-yl]methyl]cyclopropanamine
CID 66192616
N-[[2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]cyclohexyl]methyl]propan-1-amine
CID 81026860
N-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-2,2-dimethylcyclohexan-1-amine
CID 79870634
N-[[1-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]pyrrol-2-yl]methyl]cyclopropanamine
CID 66402791
N-[[2-[(1-ethylimidazol-2-yl)methyl]cyclopentyl]methyl]cyclopropanamine
CID 81033575
(1R)-N-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-1-cycloheptylethanamine
CID 81388662
N-[[2-[(1,3-diethylpyrazol-5-yl)methyl]cyclobutyl]methyl]cyclopropanamine
CID 81017024

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]cyclopentyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]cyclopentyl]methyl]cyclopropanamine (CID 81027132) is N-[[2-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]cyclopentyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]cyclopentyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]cyclopentyl]methyl]cyclopropanamine is CCc1nn(CC)c(CC2CCCC2CNC2CC2)c1Cl.
What is the InChIKey of N-[[2-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]cyclopentyl]methyl]cyclopropanamine?
The InChIKey is NAJVGXKQCKCPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28ClN3/c1-3-15-17(18)16(21(4-2)20-15)10-12-6-5-7-13(12)11-19-14-8-9-14/h12-14,19H,3-11H2,1-2H3.
What are the key properties of N-[[2-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]cyclopentyl]methyl]cyclopropanamine?
N-[[2-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]cyclopentyl]methyl]cyclopropanamine has a molecular weight of 309.89 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]cyclopentyl]methyl]cyclopropanamine is sourced from PubChem (CID 81027132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).