1-cyclopropyl-N-[(2-methylpyrazol-3-yl)methyl]butan-1-amine

C12H21N3 — CID 115769814

IUPAC1-cyclopropyl-N-[(2-methylpyrazol-3-yl)methyl]butan-1-amine
SMILESCCCC(NCc1ccnn1C)C1CC1
InChIInChI=1S/C12H21N3/c1-3-4-12(10-5-6-10)13-9-11-7-8-14-15(11)2/h7-8,10,12-13H,3-6,9H2,1-2H3
InChIKeyRKNWOKYJEKRMKS-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.09
Rot. Bonds6

About 1-cyclopropyl-N-[(2-methylpyrazol-3-yl)methyl]butan-1-amine

1-cyclopropyl-N-[(2-methylpyrazol-3-yl)methyl]butan-1-amine (PubChem CID 115769814) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-cyclopropyl-N-[(2-methylpyrazol-3-yl)methyl]butan-1-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-[(2-methylpyrazol-3-yl)methyl]butan-1-amine
PubChem CID115769814
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name1-cyclopropyl-N-[(2-methylpyrazol-3-yl)methyl]butan-1-amine
SMILESCCCC(NCc1ccnn1C)C1CC1
InChIInChI=1S/C12H21N3/c1-3-4-12(10-5-6-10)13-9-11-7-8-14-15(11)2/h7-8,10,12-13H,3-6,9H2,1-2H3
InChIKeyRKNWOKYJEKRMKS-UHFFFAOYSA-N
XLogP2.09
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(4-methylcyclohexyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103009722
1-cyclobutyl-N-ethyl-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103010387
1-cyclopropyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 104695065
3-cyclopropyl-3-[(2-ethylpyrazol-3-yl)methylamino]propan-1-ol
CID 115762505
N-[(2-methylpyrazol-3-yl)methyl]-1-(oxan-4-yl)ethanamine
CID 115699091
1-(4-tert-butylcyclohexyl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103010665
1-(3-bicyclo[3.1.0]hexanyl)-3-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine
CID 103030501
tert-butyl N-[2-cyclopentyl-2-[(2-methylpyrazol-3-yl)methylamino]ethyl]carbamate
CID 106834289
5-(4-chloro-4-cyclopropylbutyl)-1-methylpyrazole
CID 103013956
2-[(2-methylpyrazol-3-yl)methylamino]propanoic acid
CID 61499577
1-(dicyclopropylmethyl)-3-[(2-methylpyrazol-3-yl)methyl]urea
CID 36977921
1-cyclopropyl-N-[(2-methylpyrazol-3-yl)methyl]methanamine
CID 43663124

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[(2-methylpyrazol-3-yl)methyl]butan-1-amine?
The IUPAC name of 1-cyclopropyl-N-[(2-methylpyrazol-3-yl)methyl]butan-1-amine (CID 115769814) is 1-cyclopropyl-N-[(2-methylpyrazol-3-yl)methyl]butan-1-amine.
What is the SMILES notation for 1-cyclopropyl-N-[(2-methylpyrazol-3-yl)methyl]butan-1-amine?
The canonical SMILES for 1-cyclopropyl-N-[(2-methylpyrazol-3-yl)methyl]butan-1-amine is CCCC(NCc1ccnn1C)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-[(2-methylpyrazol-3-yl)methyl]butan-1-amine?
The InChIKey is RKNWOKYJEKRMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-3-4-12(10-5-6-10)13-9-11-7-8-14-15(11)2/h7-8,10,12-13H,3-6,9H2,1-2H3.
What are the key properties of 1-cyclopropyl-N-[(2-methylpyrazol-3-yl)methyl]butan-1-amine?
1-cyclopropyl-N-[(2-methylpyrazol-3-yl)methyl]butan-1-amine has a molecular weight of 207.32 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[(2-methylpyrazol-3-yl)methyl]butan-1-amine is sourced from PubChem (CID 115769814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).