N,N-dimethyl-1-(1H-pyrazol-4-yl)methanamine

C6H11N3 — CID 22929641

IUPACN,N-dimethyl-1-(1H-pyrazol-4-yl)methanamine
SMILESCN(C)Cc1cn[nH]c1
InChIInChI=1S/C6H11N3/c1-9(2)5-6-3-7-8-4-6/h3-4H,5H2,1-2H3,(H,7,8)
InChIKeyZRRJOIZUONRZAO-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.47
Rot. Bonds2

About N,N-dimethyl-1-(1H-pyrazol-4-yl)methanamine

N,N-dimethyl-1-(1H-pyrazol-4-yl)methanamine (PubChem CID 22929641) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is N,N-dimethyl-1-(1H-pyrazol-4-yl)methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-(1H-pyrazol-4-yl)methanamine
PubChem CID22929641
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC NameN,N-dimethyl-1-(1H-pyrazol-4-yl)methanamine
SMILESCN(C)Cc1cn[nH]c1
InChIInChI=1S/C6H11N3/c1-9(2)5-6-3-7-8-4-6/h3-4H,5H2,1-2H3,(H,7,8)
InChIKeyZRRJOIZUONRZAO-UHFFFAOYSA-N
XLogP0.47
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.47
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-(1H-pyrazol-4-yl)methanamine?
The IUPAC name of N,N-dimethyl-1-(1H-pyrazol-4-yl)methanamine (CID 22929641) is N,N-dimethyl-1-(1H-pyrazol-4-yl)methanamine.
What is the SMILES notation for N,N-dimethyl-1-(1H-pyrazol-4-yl)methanamine?
The canonical SMILES for N,N-dimethyl-1-(1H-pyrazol-4-yl)methanamine is CN(C)Cc1cn[nH]c1.
What is the InChIKey of N,N-dimethyl-1-(1H-pyrazol-4-yl)methanamine?
The InChIKey is ZRRJOIZUONRZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3/c1-9(2)5-6-3-7-8-4-6/h3-4H,5H2,1-2H3,(H,7,8).
What are the key properties of N,N-dimethyl-1-(1H-pyrazol-4-yl)methanamine?
N,N-dimethyl-1-(1H-pyrazol-4-yl)methanamine has a molecular weight of 125.17 g/mol, XLogP of 0.47, 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-(1H-pyrazol-4-yl)methanamine is sourced from PubChem (CID 22929641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).