1-[(4-chloro-1-methylpyrazole-5-carbonyl)amino]-3-naphthalen-1-ylurea

C16H14ClN5O2 — CID 841598

IUPAC1-[(4-chloro-1-methylpyrazole-5-carbonyl)amino]-3-naphthalen-1-ylurea
SMILESCn1ncc(Cl)c1C(=O)NNC(=O)Nc1cccc2ccccc12
InChIInChI=1S/C16H14ClN5O2/c1-22-14(12(17)9-18-22)15(23)20-21-16(24)19-13-8-4-6-10-5-2-3-7-11(10)13/h2-9H,1H3,(H,20,23)(H2,19,21,24)
InChIKeyRMSVXESWENUCTA-UHFFFAOYSA-N
MW343.77 g/mol
LogP2.69
Rot. Bonds2

About 1-[(4-chloro-1-methylpyrazole-5-carbonyl)amino]-3-naphthalen-1-ylurea

1-[(4-chloro-1-methylpyrazole-5-carbonyl)amino]-3-naphthalen-1-ylurea (PubChem CID 841598) has the molecular formula C16H14ClN5O2 and a molecular weight of 343.77 g/mol. Its IUPAC name is 1-[(4-chloro-1-methylpyrazole-5-carbonyl)amino]-3-naphthalen-1-ylurea.

Molecular Properties

Compound Name1-[(4-chloro-1-methylpyrazole-5-carbonyl)amino]-3-naphthalen-1-ylurea
PubChem CID841598
Molecular FormulaC16H14ClN5O2
Molecular Weight343.77 g/mol
Exact Mass343.08
IUPAC Name1-[(4-chloro-1-methylpyrazole-5-carbonyl)amino]-3-naphthalen-1-ylurea
SMILESCn1ncc(Cl)c1C(=O)NNC(=O)Nc1cccc2ccccc12
InChIInChI=1S/C16H14ClN5O2/c1-22-14(12(17)9-18-22)15(23)20-21-16(24)19-13-8-4-6-10-5-2-3-7-11(10)13/h2-9H,1H3,(H,20,23)(H2,19,21,24)
InChIKeyRMSVXESWENUCTA-UHFFFAOYSA-N
XLogP2.69
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.77
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-1-methylpyrazole-5-carbonyl)amino]-3-naphthalen-1-ylurea?
The IUPAC name of 1-[(4-chloro-1-methylpyrazole-5-carbonyl)amino]-3-naphthalen-1-ylurea (CID 841598) is 1-[(4-chloro-1-methylpyrazole-5-carbonyl)amino]-3-naphthalen-1-ylurea.
What is the SMILES notation for 1-[(4-chloro-1-methylpyrazole-5-carbonyl)amino]-3-naphthalen-1-ylurea?
The canonical SMILES for 1-[(4-chloro-1-methylpyrazole-5-carbonyl)amino]-3-naphthalen-1-ylurea is Cn1ncc(Cl)c1C(=O)NNC(=O)Nc1cccc2ccccc12.
What is the InChIKey of 1-[(4-chloro-1-methylpyrazole-5-carbonyl)amino]-3-naphthalen-1-ylurea?
The InChIKey is RMSVXESWENUCTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN5O2/c1-22-14(12(17)9-18-22)15(23)20-21-16(24)19-13-8-4-6-10-5-2-3-7-11(10)13/h2-9H,1H3,(H,20,23)(H2,19,21,24).
What are the key properties of 1-[(4-chloro-1-methylpyrazole-5-carbonyl)amino]-3-naphthalen-1-ylurea?
1-[(4-chloro-1-methylpyrazole-5-carbonyl)amino]-3-naphthalen-1-ylurea has a molecular weight of 343.77 g/mol, XLogP of 2.69, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-1-methylpyrazole-5-carbonyl)amino]-3-naphthalen-1-ylurea is sourced from PubChem (CID 841598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).