3-phenyl-N'-[3-(pyrimidin-2-ylamino)propanoyl]-1H-pyrazole-5-carbohydrazide

C17H17N7O2 — CID 55791873

IUPAC3-phenyl-N'-[3-(pyrimidin-2-ylamino)propanoyl]-1H-pyrazole-5-carbohydrazide
SMILESO=C(CCNc1ncccn1)NNC(=O)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C17H17N7O2/c25-15(7-10-20-17-18-8-4-9-19-17)23-24-16(26)14-11-13(21-22-14)12-5-2-1-3-6-12/h1-6,8-9,11H,7,10H2,(H,21,22)(H,23,25)(H,24,26)(H,18,19,20)
InChIKeyISDUZBVVWGYTPM-UHFFFAOYSA-N
MW351.37 g/mol
LogP1.13
Rot. Bonds6

About 3-phenyl-N'-[3-(pyrimidin-2-ylamino)propanoyl]-1H-pyrazole-5-carbohydrazide

3-phenyl-N'-[3-(pyrimidin-2-ylamino)propanoyl]-1H-pyrazole-5-carbohydrazide (PubChem CID 55791873) has the molecular formula C17H17N7O2 and a molecular weight of 351.37 g/mol. Its IUPAC name is 3-phenyl-N'-[3-(pyrimidin-2-ylamino)propanoyl]-1H-pyrazole-5-carbohydrazide.

Molecular Properties

Compound Name3-phenyl-N'-[3-(pyrimidin-2-ylamino)propanoyl]-1H-pyrazole-5-carbohydrazide
PubChem CID55791873
Molecular FormulaC17H17N7O2
Molecular Weight351.37 g/mol
Exact Mass351.14
IUPAC Name3-phenyl-N'-[3-(pyrimidin-2-ylamino)propanoyl]-1H-pyrazole-5-carbohydrazide
SMILESO=C(CCNc1ncccn1)NNC(=O)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C17H17N7O2/c25-15(7-10-20-17-18-8-4-9-19-17)23-24-16(26)14-11-13(21-22-14)12-5-2-1-3-6-12/h1-6,8-9,11H,7,10H2,(H,21,22)(H,23,25)(H,24,26)(H,18,19,20)
InChIKeyISDUZBVVWGYTPM-UHFFFAOYSA-N
XLogP1.13
TPSA124.69 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 51.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-phenyl-N'-propanoyl-1H-pyrazole-5-carbohydrazide
CID 2677236
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N'-[2-(2-fluorophenoxy)acetyl]-3-phenyl-1H-pyrazole-5-carbohydrazide
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N'-[2-(2,6-dimethylphenoxy)acetyl]-3-phenyl-1H-pyrazole-5-carbohydrazide
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CID 40591056
2-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]ethylcarbamic acid
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N'-[4-(5-chlorothiophen-2-yl)-4-oxobutanoyl]-3-phenyl-1H-pyrazole-5-carbohydrazide
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N'-[4-(1,3-benzothiazol-2-yl)butanoyl]-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 27689131
N'-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoyl]-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 24541013
N'-[3-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]propanoyl]-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 9075646

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N'-[3-(pyrimidin-2-ylamino)propanoyl]-1H-pyrazole-5-carbohydrazide?
The IUPAC name of 3-phenyl-N'-[3-(pyrimidin-2-ylamino)propanoyl]-1H-pyrazole-5-carbohydrazide (CID 55791873) is 3-phenyl-N'-[3-(pyrimidin-2-ylamino)propanoyl]-1H-pyrazole-5-carbohydrazide.
What is the SMILES notation for 3-phenyl-N'-[3-(pyrimidin-2-ylamino)propanoyl]-1H-pyrazole-5-carbohydrazide?
The canonical SMILES for 3-phenyl-N'-[3-(pyrimidin-2-ylamino)propanoyl]-1H-pyrazole-5-carbohydrazide is O=C(CCNc1ncccn1)NNC(=O)c1cc(-c2ccccc2)n[nH]1.
What is the InChIKey of 3-phenyl-N'-[3-(pyrimidin-2-ylamino)propanoyl]-1H-pyrazole-5-carbohydrazide?
The InChIKey is ISDUZBVVWGYTPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N7O2/c25-15(7-10-20-17-18-8-4-9-19-17)23-24-16(26)14-11-13(21-22-14)12-5-2-1-3-6-12/h1-6,8-9,11H,7,10H2,(H,21,22)(H,23,25)(H,24,26)(H,18,19,20).
What are the key properties of 3-phenyl-N'-[3-(pyrimidin-2-ylamino)propanoyl]-1H-pyrazole-5-carbohydrazide?
3-phenyl-N'-[3-(pyrimidin-2-ylamino)propanoyl]-1H-pyrazole-5-carbohydrazide has a molecular weight of 351.37 g/mol, XLogP of 1.13, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N'-[3-(pyrimidin-2-ylamino)propanoyl]-1H-pyrazole-5-carbohydrazide is sourced from PubChem (CID 55791873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).