2-cyclopropyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine

C13H23N3 — CID 115623017

IUPAC2-cyclopropyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine
SMILESCC(CNCc1cnn(C(C)C)c1)C1CC1
InChIInChI=1S/C13H23N3/c1-10(2)16-9-12(8-15-16)7-14-6-11(3)13-4-5-13/h8-11,13-14H,4-7H2,1-3H3
InChIKeyJFHXCVOXFBWZMM-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.60
Rot. Bonds6

About 2-cyclopropyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine

2-cyclopropyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine (PubChem CID 115623017) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 2-cyclopropyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine
PubChem CID115623017
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name2-cyclopropyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine
SMILESCC(CNCc1cnn(C(C)C)c1)C1CC1
InChIInChI=1S/C13H23N3/c1-10(2)16-9-12(8-15-16)7-14-6-11(3)13-4-5-13/h8-11,13-14H,4-7H2,1-3H3
InChIKeyJFHXCVOXFBWZMM-UHFFFAOYSA-N
XLogP2.60
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 ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-N-[(1-ethylpyrazol-4-yl)methyl]propan-1-amine
CID 115622207
1-cyclopropyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]ethanamine
CID 115622994
N-[(1-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine
CID 61270975
N-[(1-methylcyclopropyl)methyl]-1-(1-propan-2-ylpyrazol-4-yl)methanamine
CID 103724276
3-[[(1-propan-2-ylpyrazol-4-yl)methylamino]methyl]pentan-1-ol
CID 103748663
2-[(1-propan-2-ylpyrazol-4-yl)methylamino]ethanol;hydrochloride
CID 126967018
N-[(1-propan-2-ylpyrazol-4-yl)methyl]propan-2-amine
CID 61270976
4-[[(1-propan-2-ylpyrazol-4-yl)methylamino]methyl]cyclohexane-1-carboxylic acid
CID 106468068
1-(1-methylpiperidin-2-yl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]methanamine
CID 114075415
1-(2-methyloxolan-3-yl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]methanamine
CID 114104938
N-[(1-propan-2-ylpyrazol-4-yl)methyl]cyclopent-3-en-1-amine
CID 115696399
N-[(1-propan-2-ylpyrazol-4-yl)methyl]butan-1-amine;hydrochloride
CID 126967036

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine?
The IUPAC name of 2-cyclopropyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine (CID 115623017) is 2-cyclopropyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for 2-cyclopropyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for 2-cyclopropyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine is CC(CNCc1cnn(C(C)C)c1)C1CC1.
What is the InChIKey of 2-cyclopropyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine?
The InChIKey is JFHXCVOXFBWZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-10(2)16-9-12(8-15-16)7-14-6-11(3)13-4-5-13/h8-11,13-14H,4-7H2,1-3H3.
What are the key properties of 2-cyclopropyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine?
2-cyclopropyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine has a molecular weight of 221.35 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 115623017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).