3-amino-N-[4-methoxy-3-(pentanoylamino)phenyl]-1H-pyrazole-5-carboxamide

C16H21N5O3 — CID 50949902

IUPAC3-amino-N-[4-methoxy-3-(pentanoylamino)phenyl]-1H-pyrazole-5-carboxamide
SMILESCCCCC(=O)Nc1cc(NC(=O)c2cc(N)n[nH]2)ccc1OC
InChIInChI=1S/C16H21N5O3/c1-3-4-5-15(22)19-11-8-10(6-7-13(11)24-2)18-16(23)12-9-14(17)21-20-12/h6-9H,3-5H2,1-2H3,(H,18,23)(H,19,22)(H3,17,20,21)
InChIKeyOIHXOLUNROIZNE-UHFFFAOYSA-N
MW331.38 g/mol
LogP2.38
Rot. Bonds7

About 3-amino-N-[4-methoxy-3-(pentanoylamino)phenyl]-1H-pyrazole-5-carboxamide

3-amino-N-[4-methoxy-3-(pentanoylamino)phenyl]-1H-pyrazole-5-carboxamide (PubChem CID 50949902) has the molecular formula C16H21N5O3 and a molecular weight of 331.38 g/mol. Its IUPAC name is 3-amino-N-[4-methoxy-3-(pentanoylamino)phenyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-[4-methoxy-3-(pentanoylamino)phenyl]-1H-pyrazole-5-carboxamide
PubChem CID50949902
Molecular FormulaC16H21N5O3
Molecular Weight331.38 g/mol
Exact Mass331.16
IUPAC Name3-amino-N-[4-methoxy-3-(pentanoylamino)phenyl]-1H-pyrazole-5-carboxamide
SMILESCCCCC(=O)Nc1cc(NC(=O)c2cc(N)n[nH]2)ccc1OC
InChIInChI=1S/C16H21N5O3/c1-3-4-5-15(22)19-11-8-10(6-7-13(11)24-2)18-16(23)12-9-14(17)21-20-12/h6-9H,3-5H2,1-2H3,(H,18,23)(H,19,22)(H3,17,20,21)
InChIKeyOIHXOLUNROIZNE-UHFFFAOYSA-N
XLogP2.38
TPSA122.13 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 52.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[(2-aminoacetyl)amino]-4-methoxyphenyl]pentanamide
CID 39185870
N-[2-methoxy-5-[3-(1H-pyrazol-4-yl)propanoylamino]phenyl]pentanamide
CID 50973633
N-[2-methoxy-5-(1,2,2-tricyanoethenylamino)phenyl]pentanamide
CID 168607043
N-[3-methoxy-4-(pentanoylamino)phenyl]hexanamide
CID 5120447
4-ethyl-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide
CID 2993875
N-(3-amino-4-methoxyphenyl)octadecanamide
CID 11361725
2,6-dimethoxy-N-[3-(pentanoylamino)phenyl]benzamide
CID 21229671
N-(3-amino-4-methoxyphenyl)octanamide
CID 43599945
4-butoxy-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide
CID 2932391
N-[2-methoxy-5-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]pentanamide
CID 46999025
N-(4-methoxy-3-pyridinyl)pentanamide
CID 60608647
3,4,5-trimethoxy-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide
CID 2236592

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-methoxy-3-(pentanoylamino)phenyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-amino-N-[4-methoxy-3-(pentanoylamino)phenyl]-1H-pyrazole-5-carboxamide (CID 50949902) is 3-amino-N-[4-methoxy-3-(pentanoylamino)phenyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-[4-methoxy-3-(pentanoylamino)phenyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-amino-N-[4-methoxy-3-(pentanoylamino)phenyl]-1H-pyrazole-5-carboxamide is CCCCC(=O)Nc1cc(NC(=O)c2cc(N)n[nH]2)ccc1OC.
What is the InChIKey of 3-amino-N-[4-methoxy-3-(pentanoylamino)phenyl]-1H-pyrazole-5-carboxamide?
The InChIKey is OIHXOLUNROIZNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O3/c1-3-4-5-15(22)19-11-8-10(6-7-13(11)24-2)18-16(23)12-9-14(17)21-20-12/h6-9H,3-5H2,1-2H3,(H,18,23)(H,19,22)(H3,17,20,21).
What are the key properties of 3-amino-N-[4-methoxy-3-(pentanoylamino)phenyl]-1H-pyrazole-5-carboxamide?
3-amino-N-[4-methoxy-3-(pentanoylamino)phenyl]-1H-pyrazole-5-carboxamide has a molecular weight of 331.38 g/mol, XLogP of 2.38, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-methoxy-3-(pentanoylamino)phenyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 50949902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).