1,2,3,4-tetrahydronaphthalen-1-yl 3-amino-1H-pyrazole-5-carboxylate

C14H15N3O2 — CID 64526040

IUPAC1,2,3,4-tetrahydronaphthalen-1-yl 3-amino-1H-pyrazole-5-carboxylate
SMILESNc1cc(C(=O)OC2CCCc3ccccc32)[nH]n1
InChIInChI=1S/C14H15N3O2/c15-13-8-11(16-17-13)14(18)19-12-7-3-5-9-4-1-2-6-10(9)12/h1-2,4,6,8,12H,3,5,7H2,(H3,15,16,17)
InChIKeyFLZVRGDFYUHDPD-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.23
Rot. Bonds2

About 1,2,3,4-tetrahydronaphthalen-1-yl 3-amino-1H-pyrazole-5-carboxylate

1,2,3,4-tetrahydronaphthalen-1-yl 3-amino-1H-pyrazole-5-carboxylate (PubChem CID 64526040) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 1,2,3,4-tetrahydronaphthalen-1-yl 3-amino-1H-pyrazole-5-carboxylate.

Molecular Properties

Compound Name1,2,3,4-tetrahydronaphthalen-1-yl 3-amino-1H-pyrazole-5-carboxylate
PubChem CID64526040
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name1,2,3,4-tetrahydronaphthalen-1-yl 3-amino-1H-pyrazole-5-carboxylate
SMILESNc1cc(C(=O)OC2CCCc3ccccc32)[nH]n1
InChIInChI=1S/C14H15N3O2/c15-13-8-11(16-17-13)14(18)19-12-7-3-5-9-4-1-2-6-10(9)12/h1-2,4,6,8,12H,3,5,7H2,(H3,15,16,17)
InChIKeyFLZVRGDFYUHDPD-UHFFFAOYSA-N
XLogP2.23
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1,2,3,4-tetrahydronaphthalen-1-yl 3-aminopyridine-2-carboxylate
CID 103993279
1,2,3,4-tetrahydronaphthalen-1-yl 4-amino-5-methylthiophene-2-carboxylate
CID 61308512
1,2,3,4-tetrahydronaphthalen-1-yl 3-amino-4-fluorobenzoate
CID 61279911
[(5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl] benzoate
CID 100999748
1,2,3,4-tetrahydronaphthalen-1-yl 2-amino-3-fluorobenzoate
CID 81498717
1,2,3,4-tetrahydronaphthalen-1-yl 6-bromopyridine-3-carboxylate
CID 66462388
1,2,3,4-tetrahydronaphthalen-1-yl prop-2-enoate
CID 21316429
1,2,3,4-tetrahydronaphthalen-1-yl 7-aminoheptanoate
CID 61279700
[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl] N-(3,4-dichlorophenyl)carbamate
CID 2489222
1,2,3,4-tetrahydronaphthalen-1-yl 3-fluoropyridine-4-carboxylate
CID 115646681
[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl] 2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylate
CID 95173403
1,2,3,4-tetrahydronaphthalen-1-yl (2S)-4-hydroxypyrrolidine-2-carboxylate
CID 61277484

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrahydronaphthalen-1-yl 3-amino-1H-pyrazole-5-carboxylate?
The IUPAC name of 1,2,3,4-tetrahydronaphthalen-1-yl 3-amino-1H-pyrazole-5-carboxylate (CID 64526040) is 1,2,3,4-tetrahydronaphthalen-1-yl 3-amino-1H-pyrazole-5-carboxylate.
What is the SMILES notation for 1,2,3,4-tetrahydronaphthalen-1-yl 3-amino-1H-pyrazole-5-carboxylate?
The canonical SMILES for 1,2,3,4-tetrahydronaphthalen-1-yl 3-amino-1H-pyrazole-5-carboxylate is Nc1cc(C(=O)OC2CCCc3ccccc32)[nH]n1.
What is the InChIKey of 1,2,3,4-tetrahydronaphthalen-1-yl 3-amino-1H-pyrazole-5-carboxylate?
The InChIKey is FLZVRGDFYUHDPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c15-13-8-11(16-17-13)14(18)19-12-7-3-5-9-4-1-2-6-10(9)12/h1-2,4,6,8,12H,3,5,7H2,(H3,15,16,17).
What are the key properties of 1,2,3,4-tetrahydronaphthalen-1-yl 3-amino-1H-pyrazole-5-carboxylate?
1,2,3,4-tetrahydronaphthalen-1-yl 3-amino-1H-pyrazole-5-carboxylate has a molecular weight of 257.29 g/mol, XLogP of 2.23, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrahydronaphthalen-1-yl 3-amino-1H-pyrazole-5-carboxylate is sourced from PubChem (CID 64526040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).