N-cyclopentyl-N-(2-methylpropyl)-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine

C17H32N4 — CID 103571958

IUPACN-cyclopentyl-N-(2-methylpropyl)-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine
SMILESCCCn1cc(C(CN)N(CC(C)C)C2CCCC2)cn1
InChIInChI=1S/C17H32N4/c1-4-9-20-13-15(11-19-20)17(10-18)21(12-14(2)3)16-7-5-6-8-16/h11,13-14,16-17H,4-10,12,18H2,1-3H3
InChIKeyRKRLRRQVFLMLQH-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.19
Rot. Bonds8

About N-cyclopentyl-N-(2-methylpropyl)-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine

N-cyclopentyl-N-(2-methylpropyl)-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine (PubChem CID 103571958) has the molecular formula C17H32N4 and a molecular weight of 292.47 g/mol. Its IUPAC name is N-cyclopentyl-N-(2-methylpropyl)-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-cyclopentyl-N-(2-methylpropyl)-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine
PubChem CID103571958
Molecular FormulaC17H32N4
Molecular Weight292.47 g/mol
Exact Mass292.26
IUPAC NameN-cyclopentyl-N-(2-methylpropyl)-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine
SMILESCCCn1cc(C(CN)N(CC(C)C)C2CCCC2)cn1
InChIInChI=1S/C17H32N4/c1-4-9-20-13-15(11-19-20)17(10-18)21(12-14(2)3)16-7-5-6-8-16/h11,13-14,16-17H,4-10,12,18H2,1-3H3
InChIKeyRKRLRRQVFLMLQH-UHFFFAOYSA-N
XLogP3.19
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4,4-dimethylcyclohexyl)-N-methyl-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine
CID 103571960
N-methyl-N-(4-methylpentan-2-yl)-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine
CID 103571806
N-cyclopentyl-1-(3,5-difluorophenyl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 106528739
N-(1,1-dioxothiolan-3-yl)-N-methyl-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine
CID 103571747
N-cyclohexyl-N-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 43199868
cycloheptyl-(1-propylpyrazol-4-yl)methanol
CID 65398920
6-bicyclo[3.1.0]hexanyl-(1-propylpyrazol-4-yl)methanamine
CID 115807334
N-cyclopropyl-1-(3,5-dichlorophenyl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 55001719
1-cyclooctyl-N-methyl-1-(1-propylpyrazol-4-yl)methanamine
CID 80603467
N-cyclopropyl-1-(1-ethylpyrazol-4-yl)-N-(furan-2-ylmethyl)ethane-1,2-diamine
CID 103569541
N-butan-2-yl-N-(2-methoxyethyl)-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine
CID 103571807
2-(2-propan-2-ylpyrrolidin-1-yl)-2-(1-propylpyrazol-4-yl)ethanamine
CID 103571938

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-(2-methylpropyl)-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine?
The IUPAC name of N-cyclopentyl-N-(2-methylpropyl)-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine (CID 103571958) is N-cyclopentyl-N-(2-methylpropyl)-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N-cyclopentyl-N-(2-methylpropyl)-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine?
The canonical SMILES for N-cyclopentyl-N-(2-methylpropyl)-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine is CCCn1cc(C(CN)N(CC(C)C)C2CCCC2)cn1.
What is the InChIKey of N-cyclopentyl-N-(2-methylpropyl)-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine?
The InChIKey is RKRLRRQVFLMLQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4/c1-4-9-20-13-15(11-19-20)17(10-18)21(12-14(2)3)16-7-5-6-8-16/h11,13-14,16-17H,4-10,12,18H2,1-3H3.
What are the key properties of N-cyclopentyl-N-(2-methylpropyl)-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine?
N-cyclopentyl-N-(2-methylpropyl)-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine has a molecular weight of 292.47 g/mol, XLogP of 3.19, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-(2-methylpropyl)-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 103571958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).