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

C12H19N5 — CID 122166469

IUPAC3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpyrazol-4-amine
SMILESCc1nn(C(C)C)cc1NCc1cnn(C)c1
InChIInChI=1S/C12H19N5/c1-9(2)17-8-12(10(3)15-17)13-5-11-6-14-16(4)7-11/h6-9,13H,5H2,1-4H3
InChIKeyDPOQJVLQMVSBAW-UHFFFAOYSA-N
MW233.32 g/mol
LogP2.12
Rot. Bonds4

About 3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpyrazol-4-amine

3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpyrazol-4-amine (PubChem CID 122166469) 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-propan-2-ylpyrazol-4-amine.

Molecular Properties

Compound Name3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpyrazol-4-amine
PubChem CID122166469
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC Name3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpyrazol-4-amine
SMILESCc1nn(C(C)C)cc1NCc1cnn(C)c1
InChIInChI=1S/C12H19N5/c1-9(2)17-8-12(10(3)15-17)13-5-11-6-14-16(4)7-11/h6-9,13H,5H2,1-4H3
InChIKeyDPOQJVLQMVSBAW-UHFFFAOYSA-N
XLogP2.12
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-1-propan-2-yl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride
CID 126965272
N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-3-methyl-1-propan-2-ylpyrazol-4-amine;hydrochloride
CID 126965744
N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(1-methylpyrazol-4-yl)methanamine
CID 122167495
3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propylpyrazol-4-amine
CID 122166471
N-[(3,5-difluorophenyl)methyl]-3-methyl-1-propan-2-ylpyrazol-4-amine
CID 122168310
3-methyl-1-(2-methylpropyl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyrazol-4-amine
CID 122167041
3-methyl-1-propan-2-yl-N-propylpyrazol-4-amine
CID 122169047
N-[(1-cyclopentylpyrazol-4-yl)methyl]-1,3-dimethylpyrazol-4-amine
CID 122167731
N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-3-methyl-1-propan-2-ylpyrazol-4-amine;hydrochloride
CID 126966978
3-methyl-1-propan-2-yl-N-propylpyrazol-4-amine;hydrochloride
CID 126964438
2,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-1,2,4-triazol-3-amine
CID 86795176
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-methyl-1-propan-2-ylpyrazol-4-amine
CID 122167187

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpyrazol-4-amine?
The IUPAC name of 3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpyrazol-4-amine (CID 122166469) is 3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpyrazol-4-amine.
What is the SMILES notation for 3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpyrazol-4-amine?
The canonical SMILES for 3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpyrazol-4-amine is Cc1nn(C(C)C)cc1NCc1cnn(C)c1.
What is the InChIKey of 3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpyrazol-4-amine?
The InChIKey is DPOQJVLQMVSBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5/c1-9(2)17-8-12(10(3)15-17)13-5-11-6-14-16(4)7-11/h6-9,13H,5H2,1-4H3.
What are the key properties of 3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpyrazol-4-amine?
3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpyrazol-4-amine has a molecular weight of 233.32 g/mol, XLogP of 2.12, 4 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-propan-2-ylpyrazol-4-amine is sourced from PubChem (CID 122166469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).