N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]propan-2-amine

C9H17N3 — CID 12978504

IUPACN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]propan-2-amine
SMILESCc1n[nH]c(C)c1CNC(C)C
InChIInChI=1S/C9H17N3/c1-6(2)10-5-9-7(3)11-12-8(9)4/h6,10H,5H2,1-4H3,(H,11,12)
InChIKeyLALHAMNLESVFHJ-UHFFFAOYSA-N
MW167.26 g/mol
LogP1.52
Rot. Bonds3

About N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]propan-2-amine

N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]propan-2-amine (PubChem CID 12978504) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]propan-2-amine
PubChem CID12978504
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]propan-2-amine
SMILESCc1n[nH]c(C)c1CNC(C)C
InChIInChI=1S/C9H17N3/c1-6(2)10-5-9-7(3)11-12-8(9)4/h6,10H,5H2,1-4H3,(H,11,12)
InChIKeyLALHAMNLESVFHJ-UHFFFAOYSA-N
XLogP1.52
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,4,5-Trimethylpyrazole
CID 138528
2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanamine
CID 650797
3,5-Dimethyl-4-ethylpyrazole
CID 572877
(3,5-Dimethyl-1H-pyrazol-4-yl)methanamine
CID 572718
2-(3,5-dimethyl-1H-pyrazol-4-yl)ethan-1-amine dihydrochloride
CID 17368230
[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl](methyl)amine
CID 7022224
[2-(3,5-Dimethyl-1H-pyrazol-4-yl)-ethyl]-methyl-amine
CID 6603359
2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanamine;hydrochloride
CID 6603655
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylethanamine
CID 645354
3-methyl-1H,4H,5H,6H,7H-pyrazolo(3,4-c)pyridine
CID 71307611
1-(3,5-dimethyl-1H-pyrazol-4-yl)ethanamine
CID 3136377
N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 23005746

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]propan-2-amine?
The IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]propan-2-amine (CID 12978504) is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]propan-2-amine is Cc1n[nH]c(C)c1CNC(C)C.
What is the InChIKey of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]propan-2-amine?
The InChIKey is LALHAMNLESVFHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-6(2)10-5-9-7(3)11-12-8(9)4/h6,10H,5H2,1-4H3,(H,11,12).
What are the key properties of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]propan-2-amine?
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]propan-2-amine has a molecular weight of 167.26 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]propan-2-amine is sourced from PubChem (CID 12978504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).