N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrazol-4-amine

C13H15N3 — CID 43539897

IUPACN-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrazol-4-amine
SMILESc1ccc2c(c1)CCCC2Nc1cn[nH]c1
InChIInChI=1S/C13H15N3/c1-2-6-12-10(4-1)5-3-7-13(12)16-11-8-14-15-9-11/h1-2,4,6,8-9,13,16H,3,5,7H2,(H,14,15)
InChIKeyJSRBXUQRLZWRKC-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.90
Rot. Bonds2

About N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrazol-4-amine

N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrazol-4-amine (PubChem CID 43539897) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrazol-4-amine.

Molecular Properties

Compound NameN-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrazol-4-amine
PubChem CID43539897
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC NameN-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrazol-4-amine
SMILESc1ccc2c(c1)CCCC2Nc1cn[nH]c1
InChIInChI=1S/C13H15N3/c1-2-6-12-10(4-1)5-3-7-13(12)16-11-8-14-15-9-11/h1-2,4,6,8-9,13,16H,3,5,7H2,(H,14,15)
InChIKeyJSRBXUQRLZWRKC-UHFFFAOYSA-N
XLogP2.90
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1H-pyrazol-4-yl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 113361432
N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-3,4-dihydro-2H-pyrrol-5-amine
CID 2123116
N-methyliodanuidyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 166139472
N-(2,6-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65470081
N-(3,4,5-trifluorophenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 63477361
3-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridin-2-amine
CID 62734178
4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)benzamide
CID 43178184
N-(3-fluoro-5-methylphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79054379
5-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridin-2-amine
CID 62304263
N-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 54507059
2-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzene-1,2-diamine
CID 62305429
N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 97170591

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrazol-4-amine?
The IUPAC name of N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrazol-4-amine (CID 43539897) is N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrazol-4-amine.
What is the SMILES notation for N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrazol-4-amine?
The canonical SMILES for N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrazol-4-amine is c1ccc2c(c1)CCCC2Nc1cn[nH]c1.
What is the InChIKey of N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrazol-4-amine?
The InChIKey is JSRBXUQRLZWRKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c1-2-6-12-10(4-1)5-3-7-13(12)16-11-8-14-15-9-11/h1-2,4,6,8-9,13,16H,3,5,7H2,(H,14,15).
What are the key properties of N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrazol-4-amine?
N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrazol-4-amine has a molecular weight of 213.28 g/mol, XLogP of 2.90, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrazol-4-amine is sourced from PubChem (CID 43539897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).