1-(2-ethylpyrazol-3-yl)-N-methyl-1-(1-phenylcyclopropyl)methanamine

C16H21N3 — CID 63977043

IUPAC1-(2-ethylpyrazol-3-yl)-N-methyl-1-(1-phenylcyclopropyl)methanamine
SMILESCCn1nccc1C(NC)C1(c2ccccc2)CC1
InChIInChI=1S/C16H21N3/c1-3-19-14(9-12-18-19)15(17-2)16(10-11-16)13-7-5-4-6-8-13/h4-9,12,15,17H,3,10-11H2,1-2H3
InChIKeyRORJGTBVYKOPFG-UHFFFAOYSA-N
MW255.37 g/mol
LogP2.90
Rot. Bonds5

About 1-(2-ethylpyrazol-3-yl)-N-methyl-1-(1-phenylcyclopropyl)methanamine

1-(2-ethylpyrazol-3-yl)-N-methyl-1-(1-phenylcyclopropyl)methanamine (PubChem CID 63977043) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 1-(2-ethylpyrazol-3-yl)-N-methyl-1-(1-phenylcyclopropyl)methanamine.

Molecular Properties

Compound Name1-(2-ethylpyrazol-3-yl)-N-methyl-1-(1-phenylcyclopropyl)methanamine
PubChem CID63977043
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name1-(2-ethylpyrazol-3-yl)-N-methyl-1-(1-phenylcyclopropyl)methanamine
SMILESCCn1nccc1C(NC)C1(c2ccccc2)CC1
InChIInChI=1S/C16H21N3/c1-3-19-14(9-12-18-19)15(17-2)16(10-11-16)13-7-5-4-6-8-13/h4-9,12,15,17H,3,10-11H2,1-2H3
InChIKeyRORJGTBVYKOPFG-UHFFFAOYSA-N
XLogP2.90
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylpyrazol-3-yl)-N-methyl-1-(1-phenylcyclopropyl)methanamine?
The IUPAC name of 1-(2-ethylpyrazol-3-yl)-N-methyl-1-(1-phenylcyclopropyl)methanamine (CID 63977043) is 1-(2-ethylpyrazol-3-yl)-N-methyl-1-(1-phenylcyclopropyl)methanamine.
What is the SMILES notation for 1-(2-ethylpyrazol-3-yl)-N-methyl-1-(1-phenylcyclopropyl)methanamine?
The canonical SMILES for 1-(2-ethylpyrazol-3-yl)-N-methyl-1-(1-phenylcyclopropyl)methanamine is CCn1nccc1C(NC)C1(c2ccccc2)CC1.
What is the InChIKey of 1-(2-ethylpyrazol-3-yl)-N-methyl-1-(1-phenylcyclopropyl)methanamine?
The InChIKey is RORJGTBVYKOPFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-3-19-14(9-12-18-19)15(17-2)16(10-11-16)13-7-5-4-6-8-13/h4-9,12,15,17H,3,10-11H2,1-2H3.
What are the key properties of 1-(2-ethylpyrazol-3-yl)-N-methyl-1-(1-phenylcyclopropyl)methanamine?
1-(2-ethylpyrazol-3-yl)-N-methyl-1-(1-phenylcyclopropyl)methanamine has a molecular weight of 255.37 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylpyrazol-3-yl)-N-methyl-1-(1-phenylcyclopropyl)methanamine is sourced from PubChem (CID 63977043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).