1-methyl-N-[(3-propylimidazol-4-yl)methyl]pyrazol-4-amine

C11H17N5 — CID 66135408

IUPAC1-methyl-N-[(3-propylimidazol-4-yl)methyl]pyrazol-4-amine
SMILESCCCn1cncc1CNc1cnn(C)c1
InChIInChI=1S/C11H17N5/c1-3-4-16-9-12-6-11(16)7-13-10-5-14-15(2)8-10/h5-6,8-9,13H,3-4,7H2,1-2H3
InChIKeyRBQLBFDYNLZELN-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.64
Rot. Bonds5

About 1-methyl-N-[(3-propylimidazol-4-yl)methyl]pyrazol-4-amine

1-methyl-N-[(3-propylimidazol-4-yl)methyl]pyrazol-4-amine (PubChem CID 66135408) has the molecular formula C11H17N5 and a molecular weight of 219.29 g/mol. Its IUPAC name is 1-methyl-N-[(3-propylimidazol-4-yl)methyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-methyl-N-[(3-propylimidazol-4-yl)methyl]pyrazol-4-amine
PubChem CID66135408
Molecular FormulaC11H17N5
Molecular Weight219.29 g/mol
Exact Mass219.15
IUPAC Name1-methyl-N-[(3-propylimidazol-4-yl)methyl]pyrazol-4-amine
SMILESCCCn1cncc1CNc1cnn(C)c1
InChIInChI=1S/C11H17N5/c1-3-4-16-9-12-6-11(16)7-13-10-5-14-15(2)8-10/h5-6,8-9,13H,3-4,7H2,1-2H3
InChIKeyRBQLBFDYNLZELN-UHFFFAOYSA-N
XLogP1.64
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-N-[(1-propylpyrrol-2-yl)methyl]pyrazol-4-amine
CID 66411903
1,3-dimethyl-N-[(3-propylimidazol-4-yl)methyl]pyrazol-4-amine
CID 102804515
3,4-dichloro-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66134981
2,6-dichloro-4-[(3-propylimidazol-4-yl)methylamino]phenol
CID 107679308
4-butyl-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66134569
3-fluoro-5-methyl-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 79054956
3-[(3-propylimidazol-4-yl)methylamino]phenol
CID 66134782
4-[(dimethylamino)methyl]-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66130355
2,4,6-trifluoro-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66129397
N-[(3-propylimidazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 107648818
N-[(1-ethylpyrrol-2-yl)methyl]-1-methylpyrazol-4-amine
CID 66411904
N-[(3-propylimidazol-4-yl)methyl]-4-(trifluoromethylsulfanyl)aniline
CID 66129543

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(3-propylimidazol-4-yl)methyl]pyrazol-4-amine?
The IUPAC name of 1-methyl-N-[(3-propylimidazol-4-yl)methyl]pyrazol-4-amine (CID 66135408) is 1-methyl-N-[(3-propylimidazol-4-yl)methyl]pyrazol-4-amine.
What is the SMILES notation for 1-methyl-N-[(3-propylimidazol-4-yl)methyl]pyrazol-4-amine?
The canonical SMILES for 1-methyl-N-[(3-propylimidazol-4-yl)methyl]pyrazol-4-amine is CCCn1cncc1CNc1cnn(C)c1.
What is the InChIKey of 1-methyl-N-[(3-propylimidazol-4-yl)methyl]pyrazol-4-amine?
The InChIKey is RBQLBFDYNLZELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5/c1-3-4-16-9-12-6-11(16)7-13-10-5-14-15(2)8-10/h5-6,8-9,13H,3-4,7H2,1-2H3.
What are the key properties of 1-methyl-N-[(3-propylimidazol-4-yl)methyl]pyrazol-4-amine?
1-methyl-N-[(3-propylimidazol-4-yl)methyl]pyrazol-4-amine has a molecular weight of 219.29 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(3-propylimidazol-4-yl)methyl]pyrazol-4-amine is sourced from PubChem (CID 66135408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).