1-cyclopropyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]propan-1-amine

C12H21N3 — CID 115896751

IUPAC1-cyclopropyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]propan-1-amine
SMILESCCC(NCc1cnn(C)c1C)C1CC1
InChIInChI=1S/C12H21N3/c1-4-12(10-5-6-10)13-7-11-8-14-15(3)9(11)2/h8,10,12-13H,4-7H2,1-3H3
InChIKeyAVBPXEJFYRZUPK-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.01
Rot. Bonds5

About 1-cyclopropyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]propan-1-amine

1-cyclopropyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]propan-1-amine (PubChem CID 115896751) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-cyclopropyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]propan-1-amine
PubChem CID115896751
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name1-cyclopropyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]propan-1-amine
SMILESCCC(NCc1cnn(C)c1C)C1CC1
InChIInChI=1S/C12H21N3/c1-4-12(10-5-6-10)13-7-11-8-14-15(3)9(11)2/h8,10,12-13H,4-7H2,1-3H3
InChIKeyAVBPXEJFYRZUPK-UHFFFAOYSA-N
XLogP2.01
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]butan-2-amine
CID 93459109
(1R)-1-cycloheptyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]ethanamine
CID 81392354
1-[(1,5-dimethylpyrazol-4-yl)methylamino]ethanol
CID 155693973
1-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]propan-1-amine
CID 64920356
3-cyclopropyl-3-[(1,5-dimethylpyrazol-4-yl)methylcarbamoylamino]propanoic acid
CID 106037678
N-[(1,5-dimethylpyrazol-4-yl)methyl]heptan-4-amine
CID 115896746
1-cyclopropyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine
CID 79225182
1-cyclopropyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(4-methoxyphenyl)methanamine
CID 103790195
2-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-(3-methylbutyl)propanamide
CID 103859872
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-methoxypentan-2-amine
CID 79578579
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4,4,4-trifluorobutan-2-amine
CID 115896749
4-[(1,5-dimethylpyrazol-4-yl)methylamino]cyclohexan-1-ol
CID 79579556

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]propan-1-amine?
The IUPAC name of 1-cyclopropyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]propan-1-amine (CID 115896751) is 1-cyclopropyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for 1-cyclopropyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for 1-cyclopropyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]propan-1-amine is CCC(NCc1cnn(C)c1C)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]propan-1-amine?
The InChIKey is AVBPXEJFYRZUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-4-12(10-5-6-10)13-7-11-8-14-15(3)9(11)2/h8,10,12-13H,4-7H2,1-3H3.
What are the key properties of 1-cyclopropyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]propan-1-amine?
1-cyclopropyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]propan-1-amine has a molecular weight of 207.32 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 115896751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).