N-[[2-[(2-ethyl-5-methylpyrazol-3-yl)methyl]cyclobutyl]methyl]cyclopropanamine

C15H25N3 — CID 81017649

IUPACN-[[2-[(2-ethyl-5-methylpyrazol-3-yl)methyl]cyclobutyl]methyl]cyclopropanamine
SMILESCCn1nc(C)cc1CC1CCC1CNC1CC1
InChIInChI=1S/C15H25N3/c1-3-18-15(8-11(2)17-18)9-12-4-5-13(12)10-16-14-6-7-14/h8,12-14,16H,3-7,9-10H2,1-2H3
InChIKeyKDLSPDGHZJPPTA-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.53
Rot. Bonds6

About N-[[2-[(2-ethyl-5-methylpyrazol-3-yl)methyl]cyclobutyl]methyl]cyclopropanamine

N-[[2-[(2-ethyl-5-methylpyrazol-3-yl)methyl]cyclobutyl]methyl]cyclopropanamine (PubChem CID 81017649) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is N-[[2-[(2-ethyl-5-methylpyrazol-3-yl)methyl]cyclobutyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-[(2-ethyl-5-methylpyrazol-3-yl)methyl]cyclobutyl]methyl]cyclopropanamine
PubChem CID81017649
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC NameN-[[2-[(2-ethyl-5-methylpyrazol-3-yl)methyl]cyclobutyl]methyl]cyclopropanamine
SMILESCCn1nc(C)cc1CC1CCC1CNC1CC1
InChIInChI=1S/C15H25N3/c1-3-18-15(8-11(2)17-18)9-12-4-5-13(12)10-16-14-6-7-14/h8,12-14,16H,3-7,9-10H2,1-2H3
InChIKeyKDLSPDGHZJPPTA-UHFFFAOYSA-N
XLogP2.53
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-cyclopropyl-1-methyl-1H-pyrazol-5-yl)methanamine
CID 33781805
3,5-Ditert-butyl-1-propan-2-ylpyrazole
CID 2742034
{2-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-1-methylethyl}amine
CID 19620826
(5-cyclopropyl-1-methyl-1H-pyrazol-3-yl)methanamine
CID 33781822
2-cyclobutyl-4H,5H,6H,7H-pyrazolo(1,5-a)pyrazine hydrochloride
CID 165869618
4-(2-ethyl-5-methyl-2H-pyrazol-3-yl)-piperidine
CID 11708208
(1S,5R)-6-(3-iodo-1-propan-2-ylpyrazol-5-yl)-3-azabicyclo[3.1.0]hexane
CID 90292738
4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]piperidine
CID 52191583
Piperidine, 4-[3-methyl-1-(2,2,2-trifluoroethyl)-1H-pyrazol-5-yl]-
CID 11608470
4-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine
CID 22288395
5-Cyclopropyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole
CID 69928539
5-Cyclopentyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole
CID 71204366

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2-ethyl-5-methylpyrazol-3-yl)methyl]cyclobutyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-[(2-ethyl-5-methylpyrazol-3-yl)methyl]cyclobutyl]methyl]cyclopropanamine (CID 81017649) is N-[[2-[(2-ethyl-5-methylpyrazol-3-yl)methyl]cyclobutyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-[(2-ethyl-5-methylpyrazol-3-yl)methyl]cyclobutyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-[(2-ethyl-5-methylpyrazol-3-yl)methyl]cyclobutyl]methyl]cyclopropanamine is CCn1nc(C)cc1CC1CCC1CNC1CC1.
What is the InChIKey of N-[[2-[(2-ethyl-5-methylpyrazol-3-yl)methyl]cyclobutyl]methyl]cyclopropanamine?
The InChIKey is KDLSPDGHZJPPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-3-18-15(8-11(2)17-18)9-12-4-5-13(12)10-16-14-6-7-14/h8,12-14,16H,3-7,9-10H2,1-2H3.
What are the key properties of N-[[2-[(2-ethyl-5-methylpyrazol-3-yl)methyl]cyclobutyl]methyl]cyclopropanamine?
N-[[2-[(2-ethyl-5-methylpyrazol-3-yl)methyl]cyclobutyl]methyl]cyclopropanamine has a molecular weight of 247.39 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2-ethyl-5-methylpyrazol-3-yl)methyl]cyclobutyl]methyl]cyclopropanamine is sourced from PubChem (CID 81017649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).