4-(carbamoylamino)-1-naphthalen-1-ylpyrazole-3-carboxamide

C15H13N5O2 — CID 73386651

IUPAC4-(carbamoylamino)-1-naphthalen-1-ylpyrazole-3-carboxamide
SMILESNC(=O)Nc1cn(-c2cccc3ccccc23)nc1C(N)=O
InChIInChI=1S/C15H13N5O2/c16-14(21)13-11(18-15(17)22)8-20(19-13)12-7-3-5-9-4-1-2-6-10(9)12/h1-8H,(H2,16,21)(H3,17,18,22)
InChIKeyCJQCPTLUHOGRQY-UHFFFAOYSA-N
MW295.30 g/mol
LogP1.62
Rot. Bonds3

About 4-(carbamoylamino)-1-naphthalen-1-ylpyrazole-3-carboxamide

4-(carbamoylamino)-1-naphthalen-1-ylpyrazole-3-carboxamide (PubChem CID 73386651) has the molecular formula C15H13N5O2 and a molecular weight of 295.30 g/mol. Its IUPAC name is 4-(carbamoylamino)-1-naphthalen-1-ylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-(carbamoylamino)-1-naphthalen-1-ylpyrazole-3-carboxamide
PubChem CID73386651
Molecular FormulaC15H13N5O2
Molecular Weight295.30 g/mol
Exact Mass295.11
IUPAC Name4-(carbamoylamino)-1-naphthalen-1-ylpyrazole-3-carboxamide
SMILESNC(=O)Nc1cn(-c2cccc3ccccc23)nc1C(N)=O
InChIInChI=1S/C15H13N5O2/c16-14(21)13-11(18-15(17)22)8-20(19-13)12-7-3-5-9-4-1-2-6-10(9)12/h1-8H,(H2,16,21)(H3,17,18,22)
InChIKeyCJQCPTLUHOGRQY-UHFFFAOYSA-N
XLogP1.62
TPSA116.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-bromophenyl)-4-(carbamoylamino)pyrazole-3-carboxamide
CID 11313329
4-(carbamoylamino)-1-(4-methylphenyl)pyrazole-3-carboxamide
CID 11379910
4-(2-hydroxyethyl)-1-naphthalen-1-ylpyrazole-3-carboxylic acid
CID 43318037
naphthalen-1-ylurea;hydrochloride
CID 141142203
4-(carbamoylamino)-1-[3-[(3Z)-3-hydrazinylideneprop-1-en-2-yl]phenyl]pyrazole-3-carboxamide
CID 143035693
(3-methyl-1-naphthalen-1-ylpyrazol-4-yl)methanol
CID 84617838
4-amino-1-(naphthalen-1-ylmethyl)pyrazole-3-carboxamide
CID 107345141
isoquinolin-8-ylurea
CID 67363282
N-(3-carbamoyl-1-phenylpyrazol-4-yl)-6-(1H-1,2,4-triazol-5-yl)pyridine-2-carboxamide
CID 176705792
1-naphthalen-1-yl-3-[2-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 177491059
isoquinoline-1-carboxamide;hydrochloride
CID 57458906
2-(1-naphthalen-1-yltriazol-4-yl)ethanamine
CID 116641542

Frequently Asked Questions

What is the IUPAC name of 4-(carbamoylamino)-1-naphthalen-1-ylpyrazole-3-carboxamide?
The IUPAC name of 4-(carbamoylamino)-1-naphthalen-1-ylpyrazole-3-carboxamide (CID 73386651) is 4-(carbamoylamino)-1-naphthalen-1-ylpyrazole-3-carboxamide.
What is the SMILES notation for 4-(carbamoylamino)-1-naphthalen-1-ylpyrazole-3-carboxamide?
The canonical SMILES for 4-(carbamoylamino)-1-naphthalen-1-ylpyrazole-3-carboxamide is NC(=O)Nc1cn(-c2cccc3ccccc23)nc1C(N)=O.
What is the InChIKey of 4-(carbamoylamino)-1-naphthalen-1-ylpyrazole-3-carboxamide?
The InChIKey is CJQCPTLUHOGRQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O2/c16-14(21)13-11(18-15(17)22)8-20(19-13)12-7-3-5-9-4-1-2-6-10(9)12/h1-8H,(H2,16,21)(H3,17,18,22).
What are the key properties of 4-(carbamoylamino)-1-naphthalen-1-ylpyrazole-3-carboxamide?
4-(carbamoylamino)-1-naphthalen-1-ylpyrazole-3-carboxamide has a molecular weight of 295.30 g/mol, XLogP of 1.62, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(carbamoylamino)-1-naphthalen-1-ylpyrazole-3-carboxamide is sourced from PubChem (CID 73386651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).