1-cyclopropyl-N-methyl-N-[(1-phenylpyrazol-3-yl)methyl]ethane-1,2-diamine

C16H22N4 — CID 116652931

IUPAC1-cyclopropyl-N-methyl-N-[(1-phenylpyrazol-3-yl)methyl]ethane-1,2-diamine
SMILESCN(Cc1ccn(-c2ccccc2)n1)C(CN)C1CC1
InChIInChI=1S/C16H22N4/c1-19(16(11-17)13-7-8-13)12-14-9-10-20(18-14)15-5-3-2-4-6-15/h2-6,9-10,13,16H,7-8,11-12,17H2,1H3
InChIKeyJQHHCONEXNLWJM-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.04
Rot. Bonds6

About 1-cyclopropyl-N-methyl-N-[(1-phenylpyrazol-3-yl)methyl]ethane-1,2-diamine

1-cyclopropyl-N-methyl-N-[(1-phenylpyrazol-3-yl)methyl]ethane-1,2-diamine (PubChem CID 116652931) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 1-cyclopropyl-N-methyl-N-[(1-phenylpyrazol-3-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclopropyl-N-methyl-N-[(1-phenylpyrazol-3-yl)methyl]ethane-1,2-diamine
PubChem CID116652931
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name1-cyclopropyl-N-methyl-N-[(1-phenylpyrazol-3-yl)methyl]ethane-1,2-diamine
SMILESCN(Cc1ccn(-c2ccccc2)n1)C(CN)C1CC1
InChIInChI=1S/C16H22N4/c1-19(16(11-17)13-7-8-13)12-14-9-10-20(18-14)15-5-3-2-4-6-15/h2-6,9-10,13,16H,7-8,11-12,17H2,1H3
InChIKeyJQHHCONEXNLWJM-UHFFFAOYSA-N
XLogP2.04
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-methyl-N-[(1-phenylpyrazol-3-yl)methyl]ethane-1,2-diamine?
The IUPAC name of 1-cyclopropyl-N-methyl-N-[(1-phenylpyrazol-3-yl)methyl]ethane-1,2-diamine (CID 116652931) is 1-cyclopropyl-N-methyl-N-[(1-phenylpyrazol-3-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for 1-cyclopropyl-N-methyl-N-[(1-phenylpyrazol-3-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for 1-cyclopropyl-N-methyl-N-[(1-phenylpyrazol-3-yl)methyl]ethane-1,2-diamine is CN(Cc1ccn(-c2ccccc2)n1)C(CN)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-methyl-N-[(1-phenylpyrazol-3-yl)methyl]ethane-1,2-diamine?
The InChIKey is JQHHCONEXNLWJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-19(16(11-17)13-7-8-13)12-14-9-10-20(18-14)15-5-3-2-4-6-15/h2-6,9-10,13,16H,7-8,11-12,17H2,1H3.
What are the key properties of 1-cyclopropyl-N-methyl-N-[(1-phenylpyrazol-3-yl)methyl]ethane-1,2-diamine?
1-cyclopropyl-N-methyl-N-[(1-phenylpyrazol-3-yl)methyl]ethane-1,2-diamine has a molecular weight of 270.38 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-methyl-N-[(1-phenylpyrazol-3-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 116652931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).