N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-phenylcyclopropan-1-amine

C16H21N3 — CID 65197378

IUPACN-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-phenylcyclopropan-1-amine
SMILESCc1nn(C)cc1C(C)NC1CC1c1ccccc1
InChIInChI=1S/C16H21N3/c1-11(15-10-19(3)18-12(15)2)17-16-9-14(16)13-7-5-4-6-8-13/h4-8,10-11,14,16-17H,9H2,1-3H3
InChIKeyKNOSIVHMPJPYID-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.94
Rot. Bonds4

About N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-phenylcyclopropan-1-amine

N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-phenylcyclopropan-1-amine (PubChem CID 65197378) has the molecular formula C16H21N3 and a molecular weight of 255.36 g/mol. Its IUPAC name is N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-phenylcyclopropan-1-amine.

Molecular Properties

Compound NameN-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-phenylcyclopropan-1-amine
PubChem CID65197378
Molecular FormulaC16H21N3
Molecular Weight255.36 g/mol
Exact Mass255.17
IUPAC NameN-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-phenylcyclopropan-1-amine
SMILESCc1nn(C)cc1C(C)NC1CC1c1ccccc1
InChIInChI=1S/C16H21N3/c1-11(15-10-19(3)18-12(15)2)17-16-9-14(16)13-7-5-4-6-8-13/h4-8,10-11,14,16-17H,9H2,1-3H3
InChIKeyKNOSIVHMPJPYID-UHFFFAOYSA-N
XLogP2.94
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-phenylcyclopropan-1-amine?
The IUPAC name of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-phenylcyclopropan-1-amine (CID 65197378) is N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-phenylcyclopropan-1-amine.
What is the SMILES notation for N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-phenylcyclopropan-1-amine?
The canonical SMILES for N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-phenylcyclopropan-1-amine is Cc1nn(C)cc1C(C)NC1CC1c1ccccc1.
What is the InChIKey of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-phenylcyclopropan-1-amine?
The InChIKey is KNOSIVHMPJPYID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-11(15-10-19(3)18-12(15)2)17-16-9-14(16)13-7-5-4-6-8-13/h4-8,10-11,14,16-17H,9H2,1-3H3.
What are the key properties of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-phenylcyclopropan-1-amine?
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-phenylcyclopropan-1-amine has a molecular weight of 255.36 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-phenylcyclopropan-1-amine is sourced from PubChem (CID 65197378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).