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

C9H17N3 — CID 43663420

IUPAC2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-2-amine
SMILESCc1[nH]ncc1CNC(C)(C)C
InChIInChI=1S/C9H17N3/c1-7-8(6-11-12-7)5-10-9(2,3)4/h6,10H,5H2,1-4H3,(H,11,12)
InChIKeyVZKKBPDNKQDTJT-UHFFFAOYSA-N
MW167.26 g/mol
LogP1.61
Rot. Bonds2

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

2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-2-amine (PubChem CID 43663420) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-2-amine
PubChem CID43663420
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-2-amine
SMILESCc1[nH]ncc1CNC(C)(C)C
InChIInChI=1S/C9H17N3/c1-7-8(6-11-12-7)5-10-9(2,3)4/h6,10H,5H2,1-4H3,(H,11,12)
InChIKeyVZKKBPDNKQDTJT-UHFFFAOYSA-N
XLogP1.61
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-2-amine (CID 43663420) is 2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-2-amine is Cc1[nH]ncc1CNC(C)(C)C.
What is the InChIKey of 2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-2-amine?
The InChIKey is VZKKBPDNKQDTJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-7-8(6-11-12-7)5-10-9(2,3)4/h6,10H,5H2,1-4H3,(H,11,12).
What are the key properties of 2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-2-amine?
2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-2-amine has a molecular weight of 167.26 g/mol, XLogP of 1.61, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-2-amine is sourced from PubChem (CID 43663420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).