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

CID 138528
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CID 650797
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CID 572877
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CID 572718
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CID 17368230
CID 17368230
CID 7022224
CID 7022224
CID 6603359
CID 6603359
CID 6603655
CID 6603655
CID 645354
CID 645354
CID 71307611
CID 71307611
CID 3136377
CID 3136377
CID 23005746
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).