N-(3-aminopropyl)-N-cyclopentyl-3-ethyl-1-methylpyrazole-4-carboxamide

C15H26N4O — CID 102809889

IUPACN-(3-aminopropyl)-N-cyclopentyl-3-ethyl-1-methylpyrazole-4-carboxamide
SMILESCCc1nn(C)cc1C(=O)N(CCCN)C1CCCC1
InChIInChI=1S/C15H26N4O/c1-3-14-13(11-18(2)17-14)15(20)19(10-6-9-16)12-7-4-5-8-12/h11-12H,3-10,16H2,1-2H3
InChIKeyOTEVKWYSSIRCJL-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.72
Rot. Bonds6

About N-(3-aminopropyl)-N-cyclopentyl-3-ethyl-1-methylpyrazole-4-carboxamide

N-(3-aminopropyl)-N-cyclopentyl-3-ethyl-1-methylpyrazole-4-carboxamide (PubChem CID 102809889) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-cyclopentyl-3-ethyl-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-cyclopentyl-3-ethyl-1-methylpyrazole-4-carboxamide
PubChem CID102809889
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC NameN-(3-aminopropyl)-N-cyclopentyl-3-ethyl-1-methylpyrazole-4-carboxamide
SMILESCCc1nn(C)cc1C(=O)N(CCCN)C1CCCC1
InChIInChI=1S/C15H26N4O/c1-3-14-13(11-18(2)17-14)15(20)19(10-6-9-16)12-7-4-5-8-12/h11-12H,3-10,16H2,1-2H3
InChIKeyOTEVKWYSSIRCJL-UHFFFAOYSA-N
XLogP1.72
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-bromopropyl)-N-cyclobutyl-3-ethyl-1-methylpyrazole-4-carboxamide
CID 102872261
N-(3-aminopropyl)-N-cyclopentyl-1,3-dimethylpyrazole-4-carboxamide
CID 102801032
N-(2-cyanoethyl)-N-cyclopropyl-3-ethyl-1-methylpyrazole-4-carboxamide
CID 103893889
N-(3-aminopropyl)-3-ethyl-1-methyl-N-(2-methylpropyl)pyrazole-4-carboxamide
CID 102809914
N-(3-aminopropyl)-N-cycloheptyl-1-methylpyrazole-3-carboxamide
CID 103115758
N-(2-aminoethyl)-N,3-diethyl-1-methylpyrazole-4-carboxamide
CID 102809911
N-(3-aminopropyl)-N-cyclohexyl-1,5-dimethylpyrazole-4-carboxamide
CID 43319374
N-(3-aminopropyl)-N-cyclohexyl-2,6-dimethylpyridine-3-carboxamide
CID 62830761
N-(2-aminoethyl)-3-ethyl-1-methyl-N-propylpyrazole-4-carboxamide
CID 102809912
N-(3-aminopropyl)-N-cyclopentyl-2-methylbenzamide
CID 43319365
N-(4-aminocyclohexyl)-3-ethyl-N,1-dimethylpyrazole-4-carboxamide
CID 102809870
N-cyclopropyl-3-ethyl-1-methyl-N-(piperidin-4-ylmethyl)pyrazole-4-carboxamide
CID 102811034

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-cyclopentyl-3-ethyl-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-(3-aminopropyl)-N-cyclopentyl-3-ethyl-1-methylpyrazole-4-carboxamide (CID 102809889) is N-(3-aminopropyl)-N-cyclopentyl-3-ethyl-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-N-cyclopentyl-3-ethyl-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-N-cyclopentyl-3-ethyl-1-methylpyrazole-4-carboxamide is CCc1nn(C)cc1C(=O)N(CCCN)C1CCCC1.
What is the InChIKey of N-(3-aminopropyl)-N-cyclopentyl-3-ethyl-1-methylpyrazole-4-carboxamide?
The InChIKey is OTEVKWYSSIRCJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-3-14-13(11-18(2)17-14)15(20)19(10-6-9-16)12-7-4-5-8-12/h11-12H,3-10,16H2,1-2H3.
What are the key properties of N-(3-aminopropyl)-N-cyclopentyl-3-ethyl-1-methylpyrazole-4-carboxamide?
N-(3-aminopropyl)-N-cyclopentyl-3-ethyl-1-methylpyrazole-4-carboxamide has a molecular weight of 278.40 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-cyclopentyl-3-ethyl-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 102809889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).