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

C14H16N4O — CID 64525278

IUPAC3-amino-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-pyrazole-5-carboxamide
SMILESNc1cc(C(=O)NC2CCc3ccccc3C2)[nH]n1
InChIInChI=1S/C14H16N4O/c15-13-8-12(17-18-13)14(19)16-11-6-5-9-3-1-2-4-10(9)7-11/h1-4,8,11H,5-7H2,(H,16,19)(H3,15,17,18)
InChIKeyIGGKKKZFFRHDGE-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.28
Rot. Bonds2

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

3-amino-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-pyrazole-5-carboxamide (PubChem CID 64525278) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 3-amino-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-pyrazole-5-carboxamide
PubChem CID64525278
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name3-amino-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-pyrazole-5-carboxamide
SMILESNc1cc(C(=O)NC2CCc3ccccc3C2)[nH]n1
InChIInChI=1S/C14H16N4O/c15-13-8-12(17-18-13)14(19)16-11-6-5-9-3-1-2-4-10(9)7-11/h1-4,8,11H,5-7H2,(H,16,19)(H3,15,17,18)
InChIKeyIGGKKKZFFRHDGE-UHFFFAOYSA-N
XLogP1.28
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-5-methyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-pyrazole-3-carboxamide
CID 62305249
3,5-diamino-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide
CID 62305417
3-amino-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide
CID 62304579
3,5-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-pyrazole-4-carboxamide
CID 62316922
3-amino-N-(1-methylpiperidin-4-yl)-1H-pyrazole-5-carboxamide
CID 64524814
5-amino-2-hydroxy-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide
CID 10493163
5-propyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-pyrazole-3-carboxamide
CID 55551440
6-methyl-4-oxo-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-pyridine-3-carboxamide
CID 103717380
3,4-dihydroxy-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide
CID 103956267
3-amino-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrazine-2-carboxamide;formic acid
CID 10267750
2-chloro-N-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide
CID 11775776
2,6-difluoro-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
CID 95271360

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-amino-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-pyrazole-5-carboxamide (CID 64525278) is 3-amino-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-amino-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-pyrazole-5-carboxamide is Nc1cc(C(=O)NC2CCc3ccccc3C2)[nH]n1.
What is the InChIKey of 3-amino-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-pyrazole-5-carboxamide?
The InChIKey is IGGKKKZFFRHDGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c15-13-8-12(17-18-13)14(19)16-11-6-5-9-3-1-2-4-10(9)7-11/h1-4,8,11H,5-7H2,(H,16,19)(H3,15,17,18).
What are the key properties of 3-amino-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-pyrazole-5-carboxamide?
3-amino-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-pyrazole-5-carboxamide has a molecular weight of 256.31 g/mol, XLogP of 1.28, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 64525278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).