3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propylpyrazol-4-amine

C12H19N5 — CID 122166471

IUPAC3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propylpyrazol-4-amine
SMILESCCCn1cc(NCc2cnn(C)c2)c(C)n1
InChIInChI=1S/C12H19N5/c1-4-5-17-9-12(10(2)15-17)13-6-11-7-14-16(3)8-11/h7-9,13H,4-6H2,1-3H3
InChIKeyOLRIYKFXOLBHNC-UHFFFAOYSA-N
MW233.32 g/mol
LogP1.95
Rot. Bonds5

About 3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propylpyrazol-4-amine

3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propylpyrazol-4-amine (PubChem CID 122166471) has the molecular formula C12H19N5 and a molecular weight of 233.32 g/mol. Its IUPAC name is 3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propylpyrazol-4-amine.

Molecular Properties

Compound Name3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propylpyrazol-4-amine
PubChem CID122166471
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC Name3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propylpyrazol-4-amine
SMILESCCCn1cc(NCc2cnn(C)c2)c(C)n1
InChIInChI=1S/C12H19N5/c1-4-5-17-9-12(10(2)15-17)13-6-11-7-14-16(3)8-11/h7-9,13H,4-6H2,1-3H3
InChIKeyOLRIYKFXOLBHNC-UHFFFAOYSA-N
XLogP1.95
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-1-propyl-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyrazol-4-amine
CID 122167868
3-methyl-1-propyl-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyrazol-4-amine;hydrochloride
CID 126964358
3-methyl-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]-1-propylpyrazol-4-amine
CID 122167638
3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpyrazol-4-amine
CID 122166469
N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-methyl-1-propylpyrazol-4-amine
CID 122166677
N-[(4-fluorophenyl)methyl]-3-methyl-1-propylpyrazol-4-amine;hydrochloride
CID 126964491
3-methyl-1-propan-2-yl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride
CID 126965272
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-methyl-1-propylpyrazol-4-amine
CID 122167189
N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-3-methyl-1-propylpyrazol-4-amine
CID 122169217
N-[(2-ethylpyrazol-3-yl)methyl]-3-methyl-1-propylpyrazol-4-amine
CID 122166720
N-[(3-methoxyphenyl)methyl]-3-methyl-1-propylpyrazol-4-amine;hydrochloride
CID 126965644
N-[(1-cyclopentylpyrazol-4-yl)methyl]-1,3-dimethylpyrazol-4-amine
CID 122167731

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propylpyrazol-4-amine?
The IUPAC name of 3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propylpyrazol-4-amine (CID 122166471) is 3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propylpyrazol-4-amine.
What is the SMILES notation for 3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propylpyrazol-4-amine?
The canonical SMILES for 3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propylpyrazol-4-amine is CCCn1cc(NCc2cnn(C)c2)c(C)n1.
What is the InChIKey of 3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propylpyrazol-4-amine?
The InChIKey is OLRIYKFXOLBHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5/c1-4-5-17-9-12(10(2)15-17)13-6-11-7-14-16(3)8-11/h7-9,13H,4-6H2,1-3H3.
What are the key properties of 3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propylpyrazol-4-amine?
3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propylpyrazol-4-amine has a molecular weight of 233.32 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propylpyrazol-4-amine is sourced from PubChem (CID 122166471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).