N-cyclopropyl-4-ethyl-5-phenyl-1H-pyrazol-3-amine

C14H17N3 — CID 55143257

IUPACN-cyclopropyl-4-ethyl-5-phenyl-1H-pyrazol-3-amine
SMILESCCc1c(NC2CC2)n[nH]c1-c1ccccc1
InChIInChI=1S/C14H17N3/c1-2-12-13(10-6-4-3-5-7-10)16-17-14(12)15-11-8-9-11/h3-7,11H,2,8-9H2,1H3,(H2,15,16,17)
InChIKeyMMDJPTFDMSIMPC-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.21
Rot. Bonds4

About N-cyclopropyl-4-ethyl-5-phenyl-1H-pyrazol-3-amine

N-cyclopropyl-4-ethyl-5-phenyl-1H-pyrazol-3-amine (PubChem CID 55143257) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is N-cyclopropyl-4-ethyl-5-phenyl-1H-pyrazol-3-amine.

Molecular Properties

Compound NameN-cyclopropyl-4-ethyl-5-phenyl-1H-pyrazol-3-amine
PubChem CID55143257
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC NameN-cyclopropyl-4-ethyl-5-phenyl-1H-pyrazol-3-amine
SMILESCCc1c(NC2CC2)n[nH]c1-c1ccccc1
InChIInChI=1S/C14H17N3/c1-2-12-13(10-6-4-3-5-7-10)16-17-14(12)15-11-8-9-11/h3-7,11H,2,8-9H2,1H3,(H2,15,16,17)
InChIKeyMMDJPTFDMSIMPC-UHFFFAOYSA-N
XLogP3.21
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-ethyl-5-phenyl-1H-pyrazol-3-amine?
The IUPAC name of N-cyclopropyl-4-ethyl-5-phenyl-1H-pyrazol-3-amine (CID 55143257) is N-cyclopropyl-4-ethyl-5-phenyl-1H-pyrazol-3-amine.
What is the SMILES notation for N-cyclopropyl-4-ethyl-5-phenyl-1H-pyrazol-3-amine?
The canonical SMILES for N-cyclopropyl-4-ethyl-5-phenyl-1H-pyrazol-3-amine is CCc1c(NC2CC2)n[nH]c1-c1ccccc1.
What is the InChIKey of N-cyclopropyl-4-ethyl-5-phenyl-1H-pyrazol-3-amine?
The InChIKey is MMDJPTFDMSIMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-2-12-13(10-6-4-3-5-7-10)16-17-14(12)15-11-8-9-11/h3-7,11H,2,8-9H2,1H3,(H2,15,16,17).
What are the key properties of N-cyclopropyl-4-ethyl-5-phenyl-1H-pyrazol-3-amine?
N-cyclopropyl-4-ethyl-5-phenyl-1H-pyrazol-3-amine has a molecular weight of 227.31 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-ethyl-5-phenyl-1H-pyrazol-3-amine is sourced from PubChem (CID 55143257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).