N-[3-[1-(2-methylpyrazol-3-yl)ethylamino]phenyl]cyclopropanecarboxamide

C16H20N4O — CID 106756909

IUPACN-[3-[1-(2-methylpyrazol-3-yl)ethylamino]phenyl]cyclopropanecarboxamide
SMILESCC(Nc1cccc(NC(=O)C2CC2)c1)c1ccnn1C
InChIInChI=1S/C16H20N4O/c1-11(15-8-9-17-20(15)2)18-13-4-3-5-14(10-13)19-16(21)12-6-7-12/h3-5,8-12,18H,6-7H2,1-2H3,(H,19,21)
InChIKeyYAEVRMOYUGCOHV-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.94
Rot. Bonds5

About N-[3-[1-(2-methylpyrazol-3-yl)ethylamino]phenyl]cyclopropanecarboxamide

N-[3-[1-(2-methylpyrazol-3-yl)ethylamino]phenyl]cyclopropanecarboxamide (PubChem CID 106756909) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is N-[3-[1-(2-methylpyrazol-3-yl)ethylamino]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[1-(2-methylpyrazol-3-yl)ethylamino]phenyl]cyclopropanecarboxamide
PubChem CID106756909
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC NameN-[3-[1-(2-methylpyrazol-3-yl)ethylamino]phenyl]cyclopropanecarboxamide
SMILESCC(Nc1cccc(NC(=O)C2CC2)c1)c1ccnn1C
InChIInChI=1S/C16H20N4O/c1-11(15-8-9-17-20(15)2)18-13-4-3-5-14(10-13)19-16(21)12-6-7-12/h3-5,8-12,18H,6-7H2,1-2H3,(H,19,21)
InChIKeyYAEVRMOYUGCOHV-UHFFFAOYSA-N
XLogP2.94
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(propan-2-ylamino)phenyl]cyclopropanecarboxamide
CID 28620650
N-[1-(2-methylpyrazol-3-yl)ethyl]-3-pyrrolidin-1-ylaniline
CID 106757576
N-[3-(5-methylhexan-2-ylamino)phenyl]cyclopropanecarboxamide
CID 43201742
N-[3-[[(1S)-1-pyridin-2-ylethyl]amino]phenyl]cyclohexanecarboxamide
CID 124614551
N-[3-[1-(5-bromothiophen-2-yl)ethylamino]phenyl]cyclopropanecarboxamide
CID 60999470
methyl 2-[3-(cyclopropanecarbonylamino)anilino]propanoate
CID 66173088
N-[3-[1-(3-bromothiophen-2-yl)ethylamino]phenyl]cyclopropanecarboxamide
CID 43766323
N-[3-[[(2S)-2-aminopropanoyl]amino]phenyl]cyclopropanecarboxamide
CID 78968942
N-[3-[[(2R)-2-(azepan-1-yl)propanoyl]amino]phenyl]cyclopropanecarboxamide
CID 95352627
N-[3-(hex-5-en-2-ylamino)phenyl]cyclopropanecarboxamide
CID 104583828
4-fluoro-N-[3-[(4-fluorocyclohexanecarbonyl)amino]phenyl]cyclohexane-1-carboxamide
CID 171577056
N-[3-[[2-methyl-3-(methylamino)propanoyl]amino]phenyl]cyclopropanecarboxamide
CID 79201789

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(2-methylpyrazol-3-yl)ethylamino]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[1-(2-methylpyrazol-3-yl)ethylamino]phenyl]cyclopropanecarboxamide (CID 106756909) is N-[3-[1-(2-methylpyrazol-3-yl)ethylamino]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[1-(2-methylpyrazol-3-yl)ethylamino]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[1-(2-methylpyrazol-3-yl)ethylamino]phenyl]cyclopropanecarboxamide is CC(Nc1cccc(NC(=O)C2CC2)c1)c1ccnn1C.
What is the InChIKey of N-[3-[1-(2-methylpyrazol-3-yl)ethylamino]phenyl]cyclopropanecarboxamide?
The InChIKey is YAEVRMOYUGCOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-11(15-8-9-17-20(15)2)18-13-4-3-5-14(10-13)19-16(21)12-6-7-12/h3-5,8-12,18H,6-7H2,1-2H3,(H,19,21).
What are the key properties of N-[3-[1-(2-methylpyrazol-3-yl)ethylamino]phenyl]cyclopropanecarboxamide?
N-[3-[1-(2-methylpyrazol-3-yl)ethylamino]phenyl]cyclopropanecarboxamide has a molecular weight of 284.36 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(2-methylpyrazol-3-yl)ethylamino]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 106756909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).