N-(cyclopropylmethyl)-N,1-dimethylpyrazol-3-amine

C9H15N3 — CID 127012019

IUPACN-(cyclopropylmethyl)-N,1-dimethylpyrazol-3-amine
SMILESCN(CC1CC1)c1ccn(C)n1
InChIInChI=1S/C9H15N3/c1-11(7-8-3-4-8)9-5-6-12(2)10-9/h5-6,8H,3-4,7H2,1-2H3
InChIKeyLELQFWAIENWHOC-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.27
Rot. Bonds3

About N-(cyclopropylmethyl)-N,1-dimethylpyrazol-3-amine

N-(cyclopropylmethyl)-N,1-dimethylpyrazol-3-amine (PubChem CID 127012019) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N,1-dimethylpyrazol-3-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N,1-dimethylpyrazol-3-amine
PubChem CID127012019
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC NameN-(cyclopropylmethyl)-N,1-dimethylpyrazol-3-amine
SMILESCN(CC1CC1)c1ccn(C)n1
InChIInChI=1S/C9H15N3/c1-11(7-8-3-4-8)9-5-6-12(2)10-9/h5-6,8H,3-4,7H2,1-2H3
InChIKeyLELQFWAIENWHOC-UHFFFAOYSA-N
XLogP1.27
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N,1-dimethylpyrazol-3-amine?
The IUPAC name of N-(cyclopropylmethyl)-N,1-dimethylpyrazol-3-amine (CID 127012019) is N-(cyclopropylmethyl)-N,1-dimethylpyrazol-3-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-N,1-dimethylpyrazol-3-amine?
The canonical SMILES for N-(cyclopropylmethyl)-N,1-dimethylpyrazol-3-amine is CN(CC1CC1)c1ccn(C)n1.
What is the InChIKey of N-(cyclopropylmethyl)-N,1-dimethylpyrazol-3-amine?
The InChIKey is LELQFWAIENWHOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-11(7-8-3-4-8)9-5-6-12(2)10-9/h5-6,8H,3-4,7H2,1-2H3.
What are the key properties of N-(cyclopropylmethyl)-N,1-dimethylpyrazol-3-amine?
N-(cyclopropylmethyl)-N,1-dimethylpyrazol-3-amine has a molecular weight of 165.24 g/mol, XLogP of 1.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N,1-dimethylpyrazol-3-amine is sourced from PubChem (CID 127012019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).