N,N,2-trimethyl-1-(3-methylpyrazol-1-yl)propan-2-amine

C10H19N3 — CID 58328473

IUPACN,N,2-trimethyl-1-(3-methylpyrazol-1-yl)propan-2-amine
SMILESCc1ccn(CC(C)(C)N(C)C)n1
InChIInChI=1S/C10H19N3/c1-9-6-7-13(11-9)8-10(2,3)12(4)5/h6-7H,8H2,1-5H3
InChIKeyZHECYOKGGDRDLX-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.53
Rot. Bonds3

About N,N,2-trimethyl-1-(3-methylpyrazol-1-yl)propan-2-amine

N,N,2-trimethyl-1-(3-methylpyrazol-1-yl)propan-2-amine (PubChem CID 58328473) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is N,N,2-trimethyl-1-(3-methylpyrazol-1-yl)propan-2-amine.

Molecular Properties

Compound NameN,N,2-trimethyl-1-(3-methylpyrazol-1-yl)propan-2-amine
PubChem CID58328473
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC NameN,N,2-trimethyl-1-(3-methylpyrazol-1-yl)propan-2-amine
SMILESCc1ccn(CC(C)(C)N(C)C)n1
InChIInChI=1S/C10H19N3/c1-9-6-7-13(11-9)8-10(2,3)12(4)5/h6-7H,8H2,1-5H3
InChIKeyZHECYOKGGDRDLX-UHFFFAOYSA-N
XLogP1.53
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N,2-trimethyl-1-(3-methylpyrazol-1-yl)propan-2-amine?
The IUPAC name of N,N,2-trimethyl-1-(3-methylpyrazol-1-yl)propan-2-amine (CID 58328473) is N,N,2-trimethyl-1-(3-methylpyrazol-1-yl)propan-2-amine.
What is the SMILES notation for N,N,2-trimethyl-1-(3-methylpyrazol-1-yl)propan-2-amine?
The canonical SMILES for N,N,2-trimethyl-1-(3-methylpyrazol-1-yl)propan-2-amine is Cc1ccn(CC(C)(C)N(C)C)n1.
What is the InChIKey of N,N,2-trimethyl-1-(3-methylpyrazol-1-yl)propan-2-amine?
The InChIKey is ZHECYOKGGDRDLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-9-6-7-13(11-9)8-10(2,3)12(4)5/h6-7H,8H2,1-5H3.
What are the key properties of N,N,2-trimethyl-1-(3-methylpyrazol-1-yl)propan-2-amine?
N,N,2-trimethyl-1-(3-methylpyrazol-1-yl)propan-2-amine has a molecular weight of 181.28 g/mol, XLogP of 1.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-trimethyl-1-(3-methylpyrazol-1-yl)propan-2-amine is sourced from PubChem (CID 58328473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).