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

C13H21N5 — CID 122166677

IUPACN-[(1,3-dimethylpyrazol-4-yl)methyl]-3-methyl-1-propylpyrazol-4-amine
SMILESCCCn1cc(NCc2cn(C)nc2C)c(C)n1
InChIInChI=1S/C13H21N5/c1-5-6-18-9-13(11(3)16-18)14-7-12-8-17(4)15-10(12)2/h8-9,14H,5-7H2,1-4H3
InChIKeyCQMUDJUROBENSY-UHFFFAOYSA-N
MW247.35 g/mol
LogP2.26
Rot. Bonds5

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

N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-methyl-1-propylpyrazol-4-amine (PubChem CID 122166677) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-methyl-1-propylpyrazol-4-amine.

Molecular Properties

Compound NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-3-methyl-1-propylpyrazol-4-amine
PubChem CID122166677
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-3-methyl-1-propylpyrazol-4-amine
SMILESCCCn1cc(NCc2cn(C)nc2C)c(C)n1
InChIInChI=1S/C13H21N5/c1-5-6-18-9-13(11(3)16-18)14-7-12-8-17(4)15-10(12)2/h8-9,14H,5-7H2,1-4H3
InChIKeyCQMUDJUROBENSY-UHFFFAOYSA-N
XLogP2.26
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]-1-propylpyrazol-4-amine
CID 122167638
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-methyl-1-propylpyrazol-4-amine
CID 122167189
3-methyl-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-propylpyrazol-4-amine
CID 122167543
3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propylpyrazol-4-amine
CID 122166471
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-propylpyrazol-3-amine
CID 19626341
4-[[(3-methyl-1-propylpyrazol-4-yl)amino]methyl]benzene-1,3-diol
CID 122168384
N-[(2,5-difluorophenyl)methyl]-3-methyl-1-propylpyrazol-4-amine
CID 122168316
N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-3-methyl-1-propylpyrazol-4-amine
CID 122169217
N-[(4-fluorophenyl)methyl]-3-methyl-1-propylpyrazol-4-amine;hydrochloride
CID 126964491
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-fluoro-3-methylaniline
CID 113351725
6-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methylpyridin-3-amine
CID 113431275
N-[(3-methyl-1-propylpyrazol-4-yl)methyl]-1-propylpyrazol-4-amine
CID 122167629

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-methyl-1-propylpyrazol-4-amine?
The IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-methyl-1-propylpyrazol-4-amine (CID 122166677) is N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-methyl-1-propylpyrazol-4-amine.
What is the SMILES notation for N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-methyl-1-propylpyrazol-4-amine?
The canonical SMILES for N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-methyl-1-propylpyrazol-4-amine is CCCn1cc(NCc2cn(C)nc2C)c(C)n1.
What is the InChIKey of N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-methyl-1-propylpyrazol-4-amine?
The InChIKey is CQMUDJUROBENSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5/c1-5-6-18-9-13(11(3)16-18)14-7-12-8-17(4)15-10(12)2/h8-9,14H,5-7H2,1-4H3.
What are the key properties of N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-methyl-1-propylpyrazol-4-amine?
N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-methyl-1-propylpyrazol-4-amine has a molecular weight of 247.35 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-methyl-1-propylpyrazol-4-amine is sourced from PubChem (CID 122166677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).