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

C13H23N3 — CID 103014617

IUPACN-[[1-[2-(2-methylpyrazol-3-yl)ethyl]cyclopropyl]methyl]propan-2-amine
SMILESCC(C)NCC1(CCc2ccnn2C)CC1
InChIInChI=1S/C13H23N3/c1-11(2)14-10-13(7-8-13)6-4-12-5-9-15-16(12)3/h5,9,11,14H,4,6-8,10H2,1-3H3
InChIKeyQAIQPGUAJIFLBD-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.13
Rot. Bonds6

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

N-[[1-[2-(2-methylpyrazol-3-yl)ethyl]cyclopropyl]methyl]propan-2-amine (PubChem CID 103014617) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is N-[[1-[2-(2-methylpyrazol-3-yl)ethyl]cyclopropyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-[2-(2-methylpyrazol-3-yl)ethyl]cyclopropyl]methyl]propan-2-amine
PubChem CID103014617
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC NameN-[[1-[2-(2-methylpyrazol-3-yl)ethyl]cyclopropyl]methyl]propan-2-amine
SMILESCC(C)NCC1(CCc2ccnn2C)CC1
InChIInChI=1S/C13H23N3/c1-11(2)14-10-13(7-8-13)6-4-12-5-9-15-16(12)3/h5,9,11,14H,4,6-8,10H2,1-3H3
InChIKeyQAIQPGUAJIFLBD-UHFFFAOYSA-N
XLogP2.13
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[2-[1-(bromomethyl)cyclopropyl]ethyl]-1-methylpyrazole
CID 103018381
N-[[1-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexyl]methyl]propan-1-amine
CID 103014466
N-[[4-[2-(2-methylpyrazol-3-yl)ethyl]oxan-4-yl]methyl]propan-1-amine
CID 103014575
N-[[3-[2-(2-methylpyrazol-3-yl)ethyl]-3-bicyclo[3.1.0]hexanyl]methyl]cyclopropanamine
CID 103014764
2,3-dimethyl-5-(2-methylpyrazol-3-yl)-N-propan-2-ylpentan-1-amine
CID 103019834
N-[(1-ethylcyclopropyl)methyl]-1-(2-methylpyrazol-3-yl)methanamine
CID 103735396
2,2-dimethyl-1-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-ol
CID 103006430
N-[(1-ethylcyclopentyl)methyl]-1-(2-methylpyrazol-3-yl)ethanamine
CID 107093788
N-[[1-[2-(1-methylimidazol-2-yl)ethyl]cyclopentyl]methyl]propan-2-amine
CID 114531428
3-ethyl-1-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-ol
CID 103006277
1-[2-(2-methylpyrazol-3-yl)ethyl]cyclopentane-1-carboxylic acid
CID 103005051
[1-[[1-(2-methylpyrazol-3-yl)ethylamino]methyl]cyclopropyl]methanol
CID 106757997

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(2-methylpyrazol-3-yl)ethyl]cyclopropyl]methyl]propan-2-amine?
The IUPAC name of N-[[1-[2-(2-methylpyrazol-3-yl)ethyl]cyclopropyl]methyl]propan-2-amine (CID 103014617) is N-[[1-[2-(2-methylpyrazol-3-yl)ethyl]cyclopropyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-[2-(2-methylpyrazol-3-yl)ethyl]cyclopropyl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-[2-(2-methylpyrazol-3-yl)ethyl]cyclopropyl]methyl]propan-2-amine is CC(C)NCC1(CCc2ccnn2C)CC1.
What is the InChIKey of N-[[1-[2-(2-methylpyrazol-3-yl)ethyl]cyclopropyl]methyl]propan-2-amine?
The InChIKey is QAIQPGUAJIFLBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-11(2)14-10-13(7-8-13)6-4-12-5-9-15-16(12)3/h5,9,11,14H,4,6-8,10H2,1-3H3.
What are the key properties of N-[[1-[2-(2-methylpyrazol-3-yl)ethyl]cyclopropyl]methyl]propan-2-amine?
N-[[1-[2-(2-methylpyrazol-3-yl)ethyl]cyclopropyl]methyl]propan-2-amine has a molecular weight of 221.35 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(2-methylpyrazol-3-yl)ethyl]cyclopropyl]methyl]propan-2-amine is sourced from PubChem (CID 103014617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).