N-[3-[1-(1H-pyrazol-5-yl)ethylamino]phenyl]propanamide

C14H18N4O — CID 54881184

IUPACN-[3-[1-(1H-pyrazol-5-yl)ethylamino]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(NC(C)c2ccn[nH]2)c1
InChIInChI=1S/C14H18N4O/c1-3-14(19)17-12-6-4-5-11(9-12)16-10(2)13-7-8-15-18-13/h4-10,16H,3H2,1-2H3,(H,15,18)(H,17,19)
InChIKeyLTICBAZQYUUPIR-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.93
Rot. Bonds5

About N-[3-[1-(1H-pyrazol-5-yl)ethylamino]phenyl]propanamide

N-[3-[1-(1H-pyrazol-5-yl)ethylamino]phenyl]propanamide (PubChem CID 54881184) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is N-[3-[1-(1H-pyrazol-5-yl)ethylamino]phenyl]propanamide.

Molecular Properties

Compound NameN-[3-[1-(1H-pyrazol-5-yl)ethylamino]phenyl]propanamide
PubChem CID54881184
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC NameN-[3-[1-(1H-pyrazol-5-yl)ethylamino]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(NC(C)c2ccn[nH]2)c1
InChIInChI=1S/C14H18N4O/c1-3-14(19)17-12-6-4-5-11(9-12)16-10(2)13-7-8-15-18-13/h4-10,16H,3H2,1-2H3,(H,15,18)(H,17,19)
InChIKeyLTICBAZQYUUPIR-UHFFFAOYSA-N
XLogP2.93
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(1H-pyrazol-5-ylmethylamino)phenyl]propanamide
CID 43662428
3-nitro-N-[1-(1H-pyrazol-5-yl)ethyl]aniline
CID 54881735
N-[4-[1-(1H-pyrazol-5-yl)ethylamino]phenyl]cyclopropanecarboxamide
CID 60971782
N-[3-(1-cyanoethylamino)phenyl]propanamide
CID 70638220
3-(2-methoxyethoxymethyl)-N-[1-(1H-pyrazol-5-yl)ethyl]aniline
CID 60972440
N,N-dimethyl-2-[4-[1-(1H-pyrazol-5-yl)ethylamino]phenyl]acetamide
CID 60971929
N-propan-2-yl-4-[1-(1H-pyrazol-5-yl)ethylamino]benzamide
CID 60971796
N-[3-(propanoylamino)phenyl]piperidine-4-carboxamide
CID 54794417
N-[3-(hex-5-en-2-ylamino)phenyl]propanamide
CID 104583829
N-[3-(1-piperidin-2-ylpropan-2-ylamino)phenyl]propanamide
CID 79537205
N-[1-(1H-pyrazol-5-yl)ethyl]-3-(1,3-thiazol-2-yl)aniline
CID 54881716
N-[3-(propan-2-ylsulfonylamino)phenyl]propanamide
CID 62999117

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(1H-pyrazol-5-yl)ethylamino]phenyl]propanamide?
The IUPAC name of N-[3-[1-(1H-pyrazol-5-yl)ethylamino]phenyl]propanamide (CID 54881184) is N-[3-[1-(1H-pyrazol-5-yl)ethylamino]phenyl]propanamide.
What is the SMILES notation for N-[3-[1-(1H-pyrazol-5-yl)ethylamino]phenyl]propanamide?
The canonical SMILES for N-[3-[1-(1H-pyrazol-5-yl)ethylamino]phenyl]propanamide is CCC(=O)Nc1cccc(NC(C)c2ccn[nH]2)c1.
What is the InChIKey of N-[3-[1-(1H-pyrazol-5-yl)ethylamino]phenyl]propanamide?
The InChIKey is LTICBAZQYUUPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-3-14(19)17-12-6-4-5-11(9-12)16-10(2)13-7-8-15-18-13/h4-10,16H,3H2,1-2H3,(H,15,18)(H,17,19).
What are the key properties of N-[3-[1-(1H-pyrazol-5-yl)ethylamino]phenyl]propanamide?
N-[3-[1-(1H-pyrazol-5-yl)ethylamino]phenyl]propanamide has a molecular weight of 258.32 g/mol, XLogP of 2.93, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(1H-pyrazol-5-yl)ethylamino]phenyl]propanamide is sourced from PubChem (CID 54881184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).