3-cyclopropyl-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]propan-1-amine

C13H23N3 — CID 115890681

IUPAC3-cyclopropyl-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]propan-1-amine
SMILESCc1nn(C)cc1C(C)NCCCC1CC1
InChIInChI=1S/C13H23N3/c1-10(13-9-16(3)15-11(13)2)14-8-4-5-12-6-7-12/h9-10,12,14H,4-8H2,1-3H3
InChIKeyQHNDLLNHPYASRS-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.57
Rot. Bonds6

About 3-cyclopropyl-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]propan-1-amine

3-cyclopropyl-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]propan-1-amine (PubChem CID 115890681) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 3-cyclopropyl-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name3-cyclopropyl-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]propan-1-amine
PubChem CID115890681
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name3-cyclopropyl-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]propan-1-amine
SMILESCc1nn(C)cc1C(C)NCCCC1CC1
InChIInChI=1S/C13H23N3/c1-10(13-9-16(3)15-11(13)2)14-8-4-5-12-6-7-12/h9-10,12,14H,4-8H2,1-3H3
InChIKeyQHNDLLNHPYASRS-UHFFFAOYSA-N
XLogP2.57
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 ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(cyclopropylmethoxy)ethyl]-1-(1,3-dimethylpyrazol-4-yl)ethanamine
CID 103782776
N-(cyclobutylmethyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine
CID 65191855
4-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]butan-1-ol
CID 106841146
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-propoxypropan-1-amine
CID 82941029
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-propan-2-yloxypropan-1-amine
CID 65191903
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-ethylcyclohexan-1-amine
CID 65196831
N-(2-butoxyethyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine
CID 65197276
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,2,2-trifluoroethanamine
CID 65192198
1-(1,3-dimethylpyrazol-4-yl)-N-(2-propan-2-yloxyethyl)ethanamine
CID 104577605
1-(1,3-dimethylpyrazol-4-yl)-N-[(3-methylcyclohexyl)methyl]ethanamine
CID 103778774
1-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-2-methylpropan-2-ol
CID 65197340
1-(1,3-dimethylpyrazol-4-yl)-N-(oxan-3-ylmethyl)ethanamine
CID 65197077

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]propan-1-amine?
The IUPAC name of 3-cyclopropyl-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]propan-1-amine (CID 115890681) is 3-cyclopropyl-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]propan-1-amine.
What is the SMILES notation for 3-cyclopropyl-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]propan-1-amine?
The canonical SMILES for 3-cyclopropyl-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]propan-1-amine is Cc1nn(C)cc1C(C)NCCCC1CC1.
What is the InChIKey of 3-cyclopropyl-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]propan-1-amine?
The InChIKey is QHNDLLNHPYASRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-10(13-9-16(3)15-11(13)2)14-8-4-5-12-6-7-12/h9-10,12,14H,4-8H2,1-3H3.
What are the key properties of 3-cyclopropyl-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]propan-1-amine?
3-cyclopropyl-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]propan-1-amine has a molecular weight of 221.35 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]propan-1-amine is sourced from PubChem (CID 115890681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).