4-amino-N-[4-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazol-5-yl]butanamide;hydrochloride

C18H25ClN4O — CID 119307223

IUPAC4-amino-N-[4-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazol-5-yl]butanamide;hydrochloride
SMILESCc1cnn(C2CCCc3ccccc32)c1NC(=O)CCCN.Cl
InChIInChI=1S/C18H24N4O.ClH/c1-13-12-20-22(18(13)21-17(23)10-5-11-19)16-9-4-7-14-6-2-3-8-15(14)16;/h2-3,6,8,12,16H,4-5,7,9-11,19H2,1H3,(H,21,23);1H
InChIKeyGOZPAVZUWJHYEA-UHFFFAOYSA-N
MW348.88 g/mol
LogP3.22
Rot. Bonds5

About 4-amino-N-[4-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazol-5-yl]butanamide;hydrochloride

4-amino-N-[4-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazol-5-yl]butanamide;hydrochloride (PubChem CID 119307223) has the molecular formula C18H25ClN4O and a molecular weight of 348.88 g/mol. Its IUPAC name is 4-amino-N-[4-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazol-5-yl]butanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[4-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazol-5-yl]butanamide;hydrochloride
PubChem CID119307223
Molecular FormulaC18H25ClN4O
Molecular Weight348.88 g/mol
Exact Mass348.17
IUPAC Name4-amino-N-[4-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazol-5-yl]butanamide;hydrochloride
SMILESCc1cnn(C2CCCc3ccccc32)c1NC(=O)CCCN.Cl
InChIInChI=1S/C18H24N4O.ClH/c1-13-12-20-22(18(13)21-17(23)10-5-11-19)16-9-4-7-14-6-2-3-8-15(14)16;/h2-3,6,8,12,16H,4-5,7,9-11,19H2,1H3,(H,21,23);1H
InChIKeyGOZPAVZUWJHYEA-UHFFFAOYSA-N
XLogP3.22
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.88
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-methyl-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-5-yl]-3-[(2R)-oxolan-2-yl]propanamide
CID 52506510
N-[4-methyl-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-5-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 52826506
N-[4-methyl-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-5-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 52826507
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[4-methyl-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-5-yl]propanamide
CID 52516791
(2S)-N-[4-methyl-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-5-yl]-1,4-dioxane-2-carboxamide
CID 95283928
5-amino-2-methyl-N-[4-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazol-5-yl]benzamide;hydrochloride
CID 120626408
N-[4-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazol-5-yl]thiadiazole-4-carboxamide
CID 56786892
2,5-dimethyl-N-[4-methyl-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-5-yl]pyrazole-3-carboxamide
CID 97068319
(3S)-N-[4-methyl-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-5-yl]piperidine-3-carboxamide
CID 99701920
3-methyl-N-[4-methyl-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-5-yl]-1,2-oxazole-5-carboxamide
CID 95150327
(2S)-N-[4-methyl-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-5-yl]-2-(4-nitrophenyl)sulfanylpropanamide
CID 52507457
4-amino-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)butanamide;hydrochloride
CID 119291488

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[4-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazol-5-yl]butanamide;hydrochloride?
The IUPAC name of 4-amino-N-[4-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazol-5-yl]butanamide;hydrochloride (CID 119307223) is 4-amino-N-[4-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazol-5-yl]butanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[4-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazol-5-yl]butanamide;hydrochloride?
The canonical SMILES for 4-amino-N-[4-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazol-5-yl]butanamide;hydrochloride is Cc1cnn(C2CCCc3ccccc32)c1NC(=O)CCCN.Cl.
What is the InChIKey of 4-amino-N-[4-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazol-5-yl]butanamide;hydrochloride?
The InChIKey is GOZPAVZUWJHYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O.ClH/c1-13-12-20-22(18(13)21-17(23)10-5-11-19)16-9-4-7-14-6-2-3-8-15(14)16;/h2-3,6,8,12,16H,4-5,7,9-11,19H2,1H3,(H,21,23);1H.
What are the key properties of 4-amino-N-[4-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazol-5-yl]butanamide;hydrochloride?
4-amino-N-[4-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazol-5-yl]butanamide;hydrochloride has a molecular weight of 348.88 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[4-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazol-5-yl]butanamide;hydrochloride is sourced from PubChem (CID 119307223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).