N,N-dimethyl-1-(5-methyl-1H-pyrazol-3-yl)methanamine

C7H13N3 — CID 13211728

IUPACN,N-dimethyl-1-(5-methyl-1H-pyrazol-3-yl)methanamine
SMILESCc1cc(CN(C)C)n[nH]1
InChIInChI=1S/C7H13N3/c1-6-4-7(9-8-6)5-10(2)3/h4H,5H2,1-3H3,(H,8,9)
InChIKeyWQXYZHNZEPDKSL-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.78
Rot. Bonds2

About N,N-dimethyl-1-(5-methyl-1H-pyrazol-3-yl)methanamine

N,N-dimethyl-1-(5-methyl-1H-pyrazol-3-yl)methanamine (PubChem CID 13211728) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is N,N-dimethyl-1-(5-methyl-1H-pyrazol-3-yl)methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-(5-methyl-1H-pyrazol-3-yl)methanamine
PubChem CID13211728
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC NameN,N-dimethyl-1-(5-methyl-1H-pyrazol-3-yl)methanamine
SMILESCc1cc(CN(C)C)n[nH]1
InChIInChI=1S/C7H13N3/c1-6-4-7(9-8-6)5-10(2)3/h4H,5H2,1-3H3,(H,8,9)
InChIKeyWQXYZHNZEPDKSL-UHFFFAOYSA-N
XLogP0.78
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(5-methyl-1H-pyrazol-3-yl)methanamine?
The IUPAC name of N,N-dimethyl-1-(5-methyl-1H-pyrazol-3-yl)methanamine (CID 13211728) is N,N-dimethyl-1-(5-methyl-1H-pyrazol-3-yl)methanamine.
What is the SMILES notation for N,N-dimethyl-1-(5-methyl-1H-pyrazol-3-yl)methanamine?
The canonical SMILES for N,N-dimethyl-1-(5-methyl-1H-pyrazol-3-yl)methanamine is Cc1cc(CN(C)C)n[nH]1.
What is the InChIKey of N,N-dimethyl-1-(5-methyl-1H-pyrazol-3-yl)methanamine?
The InChIKey is WQXYZHNZEPDKSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3/c1-6-4-7(9-8-6)5-10(2)3/h4H,5H2,1-3H3,(H,8,9).
What are the key properties of N,N-dimethyl-1-(5-methyl-1H-pyrazol-3-yl)methanamine?
N,N-dimethyl-1-(5-methyl-1H-pyrazol-3-yl)methanamine has a molecular weight of 139.20 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(5-methyl-1H-pyrazol-3-yl)methanamine is sourced from PubChem (CID 13211728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).