2,5-dimethyl-N-[4-methyl-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-5-yl]pyrazole-3-carboxamide

C20H23N5O — CID 97068319

IUPAC2,5-dimethyl-N-[4-methyl-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-5-yl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2c(C)cnn2[C@@H]2CCCc3ccccc32)n(C)n1
InChIInChI=1S/C20H23N5O/c1-13-12-21-25(17-10-6-8-15-7-4-5-9-16(15)17)19(13)22-20(26)18-11-14(2)23-24(18)3/h4-5,7,9,11-12,17H,6,8,10H2,1-3H3,(H,22,26)/t17-/m1/s1
InChIKeyHJIPFULUFWETQH-QGZVFWFLSA-N
MW349.44 g/mol
LogP3.41
Rot. Bonds3

About 2,5-dimethyl-N-[4-methyl-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-5-yl]pyrazole-3-carboxamide

2,5-dimethyl-N-[4-methyl-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-5-yl]pyrazole-3-carboxamide (PubChem CID 97068319) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 2,5-dimethyl-N-[4-methyl-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-5-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[4-methyl-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-5-yl]pyrazole-3-carboxamide
PubChem CID97068319
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name2,5-dimethyl-N-[4-methyl-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-5-yl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2c(C)cnn2[C@@H]2CCCc3ccccc32)n(C)n1
InChIInChI=1S/C20H23N5O/c1-13-12-21-25(17-10-6-8-15-7-4-5-9-16(15)17)19(13)22-20(26)18-11-14(2)23-24(18)3/h4-5,7,9,11-12,17H,6,8,10H2,1-3H3,(H,22,26)/t17-/m1/s1
InChIKeyHJIPFULUFWETQH-QGZVFWFLSA-N
XLogP3.41
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-[4-methyl-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-5-yl]-1,2-oxazole-5-carboxamide
CID 95150327
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
4-amino-N-[4-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazol-5-yl]butanamide;hydrochloride
CID 119307223
(3S)-N-[4-methyl-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-5-yl]piperidine-3-carboxamide
CID 99701920
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
(2S)-N-[4-methyl-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-5-yl]-1,4-dioxane-2-carboxamide
CID 95283928
N-[4-methyl-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-5-yl]-3-[(2R)-oxolan-2-yl]propanamide
CID 52506510
(2S)-N-[4-methyl-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-5-yl]-2-(4-nitrophenyl)sulfanylpropanamide
CID 52507457
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
5-methyl-N-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazol-3-yl]-2H-triazole-4-carboxamide
CID 167921599

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[4-methyl-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-5-yl]pyrazole-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[4-methyl-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-5-yl]pyrazole-3-carboxamide (CID 97068319) is 2,5-dimethyl-N-[4-methyl-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-5-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[4-methyl-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-5-yl]pyrazole-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[4-methyl-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-5-yl]pyrazole-3-carboxamide is Cc1cc(C(=O)Nc2c(C)cnn2[C@@H]2CCCc3ccccc32)n(C)n1.
What is the InChIKey of 2,5-dimethyl-N-[4-methyl-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-5-yl]pyrazole-3-carboxamide?
The InChIKey is HJIPFULUFWETQH-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H23N5O/c1-13-12-21-25(17-10-6-8-15-7-4-5-9-16(15)17)19(13)22-20(26)18-11-14(2)23-24(18)3/h4-5,7,9,11-12,17H,6,8,10H2,1-3H3,(H,22,26)/t17-/m1/s1.
What are the key properties of 2,5-dimethyl-N-[4-methyl-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-5-yl]pyrazole-3-carboxamide?
2,5-dimethyl-N-[4-methyl-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-5-yl]pyrazole-3-carboxamide has a molecular weight of 349.44 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[4-methyl-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-5-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 97068319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).