1,5-dimethyl-N-[2-(naphthalen-1-ylcarbamoylamino)ethyl]pyrazole-3-carboxamide

C19H21N5O2 — CID 17025902

IUPAC1,5-dimethyl-N-[2-(naphthalen-1-ylcarbamoylamino)ethyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCCNC(=O)Nc2cccc3ccccc23)nn1C
InChIInChI=1S/C19H21N5O2/c1-13-12-17(23-24(13)2)18(25)20-10-11-21-19(26)22-16-9-5-7-14-6-3-4-8-15(14)16/h3-9,12H,10-11H2,1-2H3,(H,20,25)(H2,21,22,26)
InChIKeyFGTRTYVAUKHWCG-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.43
Rot. Bonds5

About 1,5-dimethyl-N-[2-(naphthalen-1-ylcarbamoylamino)ethyl]pyrazole-3-carboxamide

1,5-dimethyl-N-[2-(naphthalen-1-ylcarbamoylamino)ethyl]pyrazole-3-carboxamide (PubChem CID 17025902) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 1,5-dimethyl-N-[2-(naphthalen-1-ylcarbamoylamino)ethyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1,5-dimethyl-N-[2-(naphthalen-1-ylcarbamoylamino)ethyl]pyrazole-3-carboxamide
PubChem CID17025902
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name1,5-dimethyl-N-[2-(naphthalen-1-ylcarbamoylamino)ethyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCCNC(=O)Nc2cccc3ccccc23)nn1C
InChIInChI=1S/C19H21N5O2/c1-13-12-17(23-24(13)2)18(25)20-10-11-21-19(26)22-16-9-5-7-14-6-3-4-8-15(14)16/h3-9,12H,10-11H2,1-2H3,(H,20,25)(H2,21,22,26)
InChIKeyFGTRTYVAUKHWCG-UHFFFAOYSA-N
XLogP2.43
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-naphthalen-1-yl-3-[2-(propan-2-ylamino)ethyl]urea
CID 62664928
1-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-3-naphthalen-1-ylurea
CID 17264652
1-naphthalen-1-yl-3-(3-oxobutyl)urea
CID 108895153
N-[(2-fluorophenyl)methyl]-1,5-dimethylpyrazole-3-carboxamide
CID 110685754
1-[2-(aziridin-1-yl)ethyl]-3-naphthalen-1-ylurea
CID 598105
N-(2-tert-butylphenyl)-1,5-dimethylpyrazole-3-carboxamide
CID 110858370
N-(2-benzylphenyl)-1,5-dimethylpyrazole-3-carboxamide
CID 35324488
4-[(1,5-dimethylpyrazole-3-carbonyl)amino]butanoyl chloride
CID 19279626
1-naphthalen-1-yl-3-(2-pyrazol-1-ylethyl)urea
CID 19589685
1-[3-(dimethylamino)propyl]-3-naphthalen-1-ylurea;hydrochloride
CID 134126097
1,5-dimethyl-N-(2-propan-2-ylphenyl)pyrazole-3-carboxamide
CID 110685790
1-(3-amino-3-sulfanylidenepropyl)-3-naphthalen-1-ylurea
CID 62667648

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-N-[2-(naphthalen-1-ylcarbamoylamino)ethyl]pyrazole-3-carboxamide?
The IUPAC name of 1,5-dimethyl-N-[2-(naphthalen-1-ylcarbamoylamino)ethyl]pyrazole-3-carboxamide (CID 17025902) is 1,5-dimethyl-N-[2-(naphthalen-1-ylcarbamoylamino)ethyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1,5-dimethyl-N-[2-(naphthalen-1-ylcarbamoylamino)ethyl]pyrazole-3-carboxamide?
The canonical SMILES for 1,5-dimethyl-N-[2-(naphthalen-1-ylcarbamoylamino)ethyl]pyrazole-3-carboxamide is Cc1cc(C(=O)NCCNC(=O)Nc2cccc3ccccc23)nn1C.
What is the InChIKey of 1,5-dimethyl-N-[2-(naphthalen-1-ylcarbamoylamino)ethyl]pyrazole-3-carboxamide?
The InChIKey is FGTRTYVAUKHWCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-13-12-17(23-24(13)2)18(25)20-10-11-21-19(26)22-16-9-5-7-14-6-3-4-8-15(14)16/h3-9,12H,10-11H2,1-2H3,(H,20,25)(H2,21,22,26).
What are the key properties of 1,5-dimethyl-N-[2-(naphthalen-1-ylcarbamoylamino)ethyl]pyrazole-3-carboxamide?
1,5-dimethyl-N-[2-(naphthalen-1-ylcarbamoylamino)ethyl]pyrazole-3-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 2.43, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-N-[2-(naphthalen-1-ylcarbamoylamino)ethyl]pyrazole-3-carboxamide is sourced from PubChem (CID 17025902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).