4-(carbamoylamino)-1-[3-[(3Z)-3-hydrazinylideneprop-1-en-2-yl]phenyl]pyrazole-3-carboxamide

C14H15N7O2 — CID 143035693

IUPAC4-(carbamoylamino)-1-[3-[(3Z)-3-hydrazinylideneprop-1-en-2-yl]phenyl]pyrazole-3-carboxamide
SMILESC=C(/C=N\N)c1cccc(-n2cc(NC(N)=O)c(C(N)=O)n2)c1
InChIInChI=1S/C14H15N7O2/c1-8(6-18-17)9-3-2-4-10(5-9)21-7-11(19-14(16)23)12(20-21)13(15)22/h2-7H,1,17H2,(H2,15,22)(H3,16,19,23)/b18-6-
InChIKeyWRAKUNJSEOHGOD-FXBPXSCXSA-N
MW313.32 g/mol
LogP0.42
Rot. Bonds5

About 4-(carbamoylamino)-1-[3-[(3Z)-3-hydrazinylideneprop-1-en-2-yl]phenyl]pyrazole-3-carboxamide

4-(carbamoylamino)-1-[3-[(3Z)-3-hydrazinylideneprop-1-en-2-yl]phenyl]pyrazole-3-carboxamide (PubChem CID 143035693) has the molecular formula C14H15N7O2 and a molecular weight of 313.32 g/mol. Its IUPAC name is 4-(carbamoylamino)-1-[3-[(3Z)-3-hydrazinylideneprop-1-en-2-yl]phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-(carbamoylamino)-1-[3-[(3Z)-3-hydrazinylideneprop-1-en-2-yl]phenyl]pyrazole-3-carboxamide
PubChem CID143035693
Molecular FormulaC14H15N7O2
Molecular Weight313.32 g/mol
Exact Mass313.13
IUPAC Name4-(carbamoylamino)-1-[3-[(3Z)-3-hydrazinylideneprop-1-en-2-yl]phenyl]pyrazole-3-carboxamide
SMILESC=C(/C=N\N)c1cccc(-n2cc(NC(N)=O)c(C(N)=O)n2)c1
InChIInChI=1S/C14H15N7O2/c1-8(6-18-17)9-3-2-4-10(5-9)21-7-11(19-14(16)23)12(20-21)13(15)22/h2-7H,1,17H2,(H2,15,22)(H3,16,19,23)/b18-6-
InChIKeyWRAKUNJSEOHGOD-FXBPXSCXSA-N
XLogP0.42
TPSA154.41 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.32
LogP ≤ 50.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(3-bromophenyl)-4-(carbamoylamino)pyrazole-3-carboxamide
CID 11313329
4-(carbamoylamino)-1-(3,4-dimethylphenyl)pyrazole-3-carboxamide;ethane
CID 143035629
4-(carbamoylamino)-1-(4-methylphenyl)pyrazole-3-carboxamide
CID 11379910
4-(carbamoylamino)-1-naphthalen-1-ylpyrazole-3-carboxamide
CID 73386651
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CID 11406188
4-(ethylamino)-1-(3-ethynylphenyl)pyrazole-3-carboxamide
CID 145143409
4-[[3-[(4,4-dimethyl-5-oxo-2-sulfanylimidazolidin-1-yl)methyl]benzoyl]amino]-1-phenylpyrazole-3-carboxamide
CID 176705883
N-(3-carbamoyl-1-phenylpyrazol-4-yl)-6-(1H-1,2,4-triazol-5-yl)pyridine-2-carboxamide
CID 176705792
1-(3-ethynylphenyl)-4-[(1-methylpyrazol-3-yl)amino]pyrazole-3-carboxamide
CID 145143211
4-acetamido-1-(3-ethynylphenyl)pyrazole-3-carboxamide;3-hydroxy-1-methylpyrrolidin-2-one
CID 145143357
4-acetamido-1-(3-ethynylphenyl)pyrazole-3-carboxamide;(3S)-3-hydroxy-1-methylpyrrolidin-2-one
CID 145143114

Frequently Asked Questions

What is the IUPAC name of 4-(carbamoylamino)-1-[3-[(3Z)-3-hydrazinylideneprop-1-en-2-yl]phenyl]pyrazole-3-carboxamide?
The IUPAC name of 4-(carbamoylamino)-1-[3-[(3Z)-3-hydrazinylideneprop-1-en-2-yl]phenyl]pyrazole-3-carboxamide (CID 143035693) is 4-(carbamoylamino)-1-[3-[(3Z)-3-hydrazinylideneprop-1-en-2-yl]phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 4-(carbamoylamino)-1-[3-[(3Z)-3-hydrazinylideneprop-1-en-2-yl]phenyl]pyrazole-3-carboxamide?
The canonical SMILES for 4-(carbamoylamino)-1-[3-[(3Z)-3-hydrazinylideneprop-1-en-2-yl]phenyl]pyrazole-3-carboxamide is C=C(/C=N\N)c1cccc(-n2cc(NC(N)=O)c(C(N)=O)n2)c1.
What is the InChIKey of 4-(carbamoylamino)-1-[3-[(3Z)-3-hydrazinylideneprop-1-en-2-yl]phenyl]pyrazole-3-carboxamide?
The InChIKey is WRAKUNJSEOHGOD-FXBPXSCXSA-N. The full InChI is InChI=1S/C14H15N7O2/c1-8(6-18-17)9-3-2-4-10(5-9)21-7-11(19-14(16)23)12(20-21)13(15)22/h2-7H,1,17H2,(H2,15,22)(H3,16,19,23)/b18-6-.
What are the key properties of 4-(carbamoylamino)-1-[3-[(3Z)-3-hydrazinylideneprop-1-en-2-yl]phenyl]pyrazole-3-carboxamide?
4-(carbamoylamino)-1-[3-[(3Z)-3-hydrazinylideneprop-1-en-2-yl]phenyl]pyrazole-3-carboxamide has a molecular weight of 313.32 g/mol, XLogP of 0.42, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(carbamoylamino)-1-[3-[(3Z)-3-hydrazinylideneprop-1-en-2-yl]phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 143035693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).