4-chloro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrazole-5-carboxamide

C14H14ClN3O — CID 45153833

IUPAC4-chloro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrazole-5-carboxamide
SMILESO=C(NC1CCCc2ccccc21)c1[nH]ncc1Cl
InChIInChI=1S/C14H14ClN3O/c15-11-8-16-18-13(11)14(19)17-12-7-3-5-9-4-1-2-6-10(9)12/h1-2,4,6,8,12H,3,5,7H2,(H,16,18)(H,17,19)
InChIKeyQTVGRXZBRCAMAT-UHFFFAOYSA-N
MW275.74 g/mol
LogP2.87
Rot. Bonds2

About 4-chloro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrazole-5-carboxamide

4-chloro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrazole-5-carboxamide (PubChem CID 45153833) has the molecular formula C14H14ClN3O and a molecular weight of 275.74 g/mol. Its IUPAC name is 4-chloro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrazole-5-carboxamide
PubChem CID45153833
Molecular FormulaC14H14ClN3O
Molecular Weight275.74 g/mol
Exact Mass275.08
IUPAC Name4-chloro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrazole-5-carboxamide
SMILESO=C(NC1CCCc2ccccc21)c1[nH]ncc1Cl
InChIInChI=1S/C14H14ClN3O/c15-11-8-16-18-13(11)14(19)17-12-7-3-5-9-4-1-2-6-10(9)12/h1-2,4,6,8,12H,3,5,7H2,(H,16,18)(H,17,19)
InChIKeyQTVGRXZBRCAMAT-UHFFFAOYSA-N
XLogP2.87
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dichloro-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2124760
3,5-dichloro-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 7428902
3-chloro-2-hydroxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 11266613
2-chloro-6-fluoro-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2450751
N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl fluoride
CID 90147743
2,3,4,5,6-pentafluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 71474180
2-chloro-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-4-carboxamide
CID 32694198
2-chloro-4-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 42989247
4-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3H-phthalazine-1-carboxamide
CID 5094185
4-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-3H-phthalazine-1-carboxamide
CID 2374073
1-(2-chlorophenyl)-3-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]urea
CID 841694
2-chloro-N-[(1S)-2,3-dihydro-1H-inden-1-yl]benzamide
CID 26288569

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-chloro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrazole-5-carboxamide (CID 45153833) is 4-chloro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrazole-5-carboxamide is O=C(NC1CCCc2ccccc21)c1[nH]ncc1Cl.
What is the InChIKey of 4-chloro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrazole-5-carboxamide?
The InChIKey is QTVGRXZBRCAMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O/c15-11-8-16-18-13(11)14(19)17-12-7-3-5-9-4-1-2-6-10(9)12/h1-2,4,6,8,12H,3,5,7H2,(H,16,18)(H,17,19).
What are the key properties of 4-chloro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrazole-5-carboxamide?
4-chloro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrazole-5-carboxamide has a molecular weight of 275.74 g/mol, XLogP of 2.87, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 45153833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).