N-[4-(3-amino-3-oxopropoxy)phenyl]-1H-pyrazole-4-carboxamide

C13H14N4O3 — CID 60975452

IUPACN-[4-(3-amino-3-oxopropoxy)phenyl]-1H-pyrazole-4-carboxamide
SMILESNC(=O)CCOc1ccc(NC(=O)c2cn[nH]c2)cc1
InChIInChI=1S/C13H14N4O3/c14-12(18)5-6-20-11-3-1-10(2-4-11)17-13(19)9-7-15-16-8-9/h1-4,7-8H,5-6H2,(H2,14,18)(H,15,16)(H,17,19)
InChIKeyAGDXFFSAFFZCHL-UHFFFAOYSA-N
MW274.28 g/mol
LogP0.92
Rot. Bonds6

About N-[4-(3-amino-3-oxopropoxy)phenyl]-1H-pyrazole-4-carboxamide

N-[4-(3-amino-3-oxopropoxy)phenyl]-1H-pyrazole-4-carboxamide (PubChem CID 60975452) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is N-[4-(3-amino-3-oxopropoxy)phenyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(3-amino-3-oxopropoxy)phenyl]-1H-pyrazole-4-carboxamide
PubChem CID60975452
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC NameN-[4-(3-amino-3-oxopropoxy)phenyl]-1H-pyrazole-4-carboxamide
SMILESNC(=O)CCOc1ccc(NC(=O)c2cn[nH]c2)cc1
InChIInChI=1S/C13H14N4O3/c14-12(18)5-6-20-11-3-1-10(2-4-11)17-13(19)9-7-15-16-8-9/h1-4,7-8H,5-6H2,(H2,14,18)(H,15,16)(H,17,19)
InChIKeyAGDXFFSAFFZCHL-UHFFFAOYSA-N
XLogP0.92
TPSA110.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-propoxyphenyl)-1H-pyrazole-4-carboxamide
CID 62328004
N-[4-(carbamoylamino)phenyl]-1H-pyrazole-4-carboxamide
CID 60786492
N-[4-(3-amino-3-oxopropoxy)phenyl]-4-propan-2-ylsulfanylbenzamide
CID 55847557
N-(4-bromophenyl)-1H-pyrazole-4-carboxamide
CID 43532863
N-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]-1H-pyrazole-4-carboxamide
CID 55182109
3-amino-N-[4-(3-amino-3-oxopropoxy)phenyl]propanamide
CID 43700453
N-[3-(2-methoxyethoxy)phenyl]-1H-pyrazole-4-carboxamide
CID 54867752
N-[4-[1-(methylamino)ethyl]phenyl]-1H-pyrazole-4-carboxamide
CID 63085076
(2R)-2-amino-N-[4-(3-amino-3-oxopropoxy)phenyl]propanamide;hydrochloride
CID 119294951
N-[4-(3-amino-3-oxopropoxy)phenyl]-2-bromopropanamide
CID 114014328
N-[4-(cyanomethyl)phenyl]-1H-pyrazole-4-carboxamide
CID 60787828
3-[4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenoxy]propanamide;hydrochloride
CID 119733587

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-amino-3-oxopropoxy)phenyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[4-(3-amino-3-oxopropoxy)phenyl]-1H-pyrazole-4-carboxamide (CID 60975452) is N-[4-(3-amino-3-oxopropoxy)phenyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[4-(3-amino-3-oxopropoxy)phenyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[4-(3-amino-3-oxopropoxy)phenyl]-1H-pyrazole-4-carboxamide is NC(=O)CCOc1ccc(NC(=O)c2cn[nH]c2)cc1.
What is the InChIKey of N-[4-(3-amino-3-oxopropoxy)phenyl]-1H-pyrazole-4-carboxamide?
The InChIKey is AGDXFFSAFFZCHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3/c14-12(18)5-6-20-11-3-1-10(2-4-11)17-13(19)9-7-15-16-8-9/h1-4,7-8H,5-6H2,(H2,14,18)(H,15,16)(H,17,19).
What are the key properties of N-[4-(3-amino-3-oxopropoxy)phenyl]-1H-pyrazole-4-carboxamide?
N-[4-(3-amino-3-oxopropoxy)phenyl]-1H-pyrazole-4-carboxamide has a molecular weight of 274.28 g/mol, XLogP of 0.92, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-amino-3-oxopropoxy)phenyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 60975452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).