N-[3-[(5-methyl-1H-pyrazol-4-yl)methylamino]phenyl]cyclopropanecarboxamide

C15H18N4O — CID 43663572

IUPACN-[3-[(5-methyl-1H-pyrazol-4-yl)methylamino]phenyl]cyclopropanecarboxamide
SMILESCc1[nH]ncc1CNc1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C15H18N4O/c1-10-12(9-17-19-10)8-16-13-3-2-4-14(7-13)18-15(20)11-5-6-11/h2-4,7,9,11,16H,5-6,8H2,1H3,(H,17,19)(H,18,20)
InChIKeyPLFGGUUNYPKRJR-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.68
Rot. Bonds5

About N-[3-[(5-methyl-1H-pyrazol-4-yl)methylamino]phenyl]cyclopropanecarboxamide

N-[3-[(5-methyl-1H-pyrazol-4-yl)methylamino]phenyl]cyclopropanecarboxamide (PubChem CID 43663572) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is N-[3-[(5-methyl-1H-pyrazol-4-yl)methylamino]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[(5-methyl-1H-pyrazol-4-yl)methylamino]phenyl]cyclopropanecarboxamide
PubChem CID43663572
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC NameN-[3-[(5-methyl-1H-pyrazol-4-yl)methylamino]phenyl]cyclopropanecarboxamide
SMILESCc1[nH]ncc1CNc1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C15H18N4O/c1-10-12(9-17-19-10)8-16-13-3-2-4-14(7-13)18-15(20)11-5-6-11/h2-4,7,9,11,16H,5-6,8H2,1H3,(H,17,19)(H,18,20)
InChIKeyPLFGGUUNYPKRJR-UHFFFAOYSA-N
XLogP2.68
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]phenyl]cyclopropanecarboxamide
CID 43663626
N-[3-(2-methoxyethylamino)phenyl]cyclopropanecarboxamide
CID 112752545
N-[3-[2-(tert-butylamino)ethylamino]phenyl]cyclopropanecarboxamide
CID 107444617
N-[3-(2,2-dimethylpropanoylamino)phenyl]cyclopropanecarboxamide
CID 17204538
N-[3-[(2-aminoacetyl)amino]phenyl]cyclopropanecarboxamide
CID 61251263
N-[3-(furan-3-ylmethylamino)phenyl]cyclopropanecarboxamide
CID 63204289
N-[3-[(1-ethylpyrrol-3-yl)methylamino]phenyl]cyclopropanecarboxamide
CID 66400073
N-[3-(cyclopropanecarbonylamino)phenyl]-2-methylbenzamide
CID 39991684
N-[3-(propanoylamino)phenyl]piperidine-4-carboxamide
CID 54794417
tert-butyl N-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]phenyl]carbamate
CID 103818455
N-[3-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]phenyl]cyclopropanecarboxamide
CID 38325393
N-[3-[(3-bromofuran-2-yl)methylamino]phenyl]cyclopropanecarboxamide
CID 103698673

Frequently Asked Questions

What is the IUPAC name of N-[3-[(5-methyl-1H-pyrazol-4-yl)methylamino]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[(5-methyl-1H-pyrazol-4-yl)methylamino]phenyl]cyclopropanecarboxamide (CID 43663572) is N-[3-[(5-methyl-1H-pyrazol-4-yl)methylamino]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[(5-methyl-1H-pyrazol-4-yl)methylamino]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[(5-methyl-1H-pyrazol-4-yl)methylamino]phenyl]cyclopropanecarboxamide is Cc1[nH]ncc1CNc1cccc(NC(=O)C2CC2)c1.
What is the InChIKey of N-[3-[(5-methyl-1H-pyrazol-4-yl)methylamino]phenyl]cyclopropanecarboxamide?
The InChIKey is PLFGGUUNYPKRJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-10-12(9-17-19-10)8-16-13-3-2-4-14(7-13)18-15(20)11-5-6-11/h2-4,7,9,11,16H,5-6,8H2,1H3,(H,17,19)(H,18,20).
What are the key properties of N-[3-[(5-methyl-1H-pyrazol-4-yl)methylamino]phenyl]cyclopropanecarboxamide?
N-[3-[(5-methyl-1H-pyrazol-4-yl)methylamino]phenyl]cyclopropanecarboxamide has a molecular weight of 270.34 g/mol, XLogP of 2.68, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(5-methyl-1H-pyrazol-4-yl)methylamino]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 43663572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).