2-methoxy-N-[2-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide

C21H26N6O2 — CID 24793895

IUPAC2-methoxy-N-[2-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
SMILESCOc1ccccc1C(=O)Nc1ccnn1C1CCN(Cc2cnn(C)c2)CC1
InChIInChI=1S/C21H26N6O2/c1-25-14-16(13-23-25)15-26-11-8-17(9-12-26)27-20(7-10-22-27)24-21(28)18-5-3-4-6-19(18)29-2/h3-7,10,13-14,17H,8-9,11-12,15H2,1-2H3,(H,24,28)
InChIKeyKLNJGSBACBNOKN-UHFFFAOYSA-N
MW394.48 g/mol
LogP2.71
Rot. Bonds6

About 2-methoxy-N-[2-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide

2-methoxy-N-[2-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide (PubChem CID 24793895) has the molecular formula C21H26N6O2 and a molecular weight of 394.48 g/mol. Its IUPAC name is 2-methoxy-N-[2-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[2-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
PubChem CID24793895
Molecular FormulaC21H26N6O2
Molecular Weight394.48 g/mol
Exact Mass394.21
IUPAC Name2-methoxy-N-[2-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
SMILESCOc1ccccc1C(=O)Nc1ccnn1C1CCN(Cc2cnn(C)c2)CC1
InChIInChI=1S/C21H26N6O2/c1-25-14-16(13-23-25)15-26-11-8-17(9-12-26)27-20(7-10-22-27)24-21(28)18-5-3-4-6-19(18)29-2/h3-7,10,13-14,17H,8-9,11-12,15H2,1-2H3,(H,24,28)
InChIKeyKLNJGSBACBNOKN-UHFFFAOYSA-N
XLogP2.71
TPSA77.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(5-Amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(2-methoxyphenyl)methanone
CID 971668
[5-(Benzylamino)-3-pyridin-3-yl-1,2,4-triazol-1-yl]-(2-methoxyphenyl)methanone
CID 2983598
N-{1-[1-(3-furoyl)-4-piperidinyl]-1H-pyrazol-5-yl}-2-methoxybenzamide
CID 24790587
N-(1-{1-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-4-piperidinyl}-1H-pyrazol-5-yl)-3-phenoxypropanamide
CID 24791744
N-(1-benzylpyrazol-3-yl)-2-(4-methoxyphenyl)acetamide
CID 6461757
N-{1-[1-(2-ethoxybenzyl)-4-piperidinyl]-1H-pyrazol-5-yl}-4-phenylbutanamide
CID 24790124
N-{1-[1-(3-cyclopentylpropyl)-4-piperidinyl]-1H-pyrazol-5-yl}-2-methoxybenzamide
CID 24790322
2-methoxy-N-(1-{1-[(5-methyl-2-furyl)methyl]-4-piperidinyl}-1H-pyrazol-5-yl)-2-phenylacetamide
CID 24790583
N-{1-[1-(2-fluoro-5-methoxybenzyl)-4-piperidinyl]-1H-pyrazol-5-yl}-4-phenylbutanamide
CID 24790783
N-[1-(1-{[2-(dimethylamino)-1,3-thiazol-5-yl]methyl}-4-piperidinyl)-1H-pyrazol-5-yl]-2-methoxybenzamide
CID 24791085
N-[2-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
CID 24791091
N-{1-[1-(4-ethoxybenzyl)-4-piperidinyl]-1H-pyrazol-5-yl}-2-methoxybenzamide
CID 24791108

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide?
The IUPAC name of 2-methoxy-N-[2-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide (CID 24793895) is 2-methoxy-N-[2-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide.
What is the SMILES notation for 2-methoxy-N-[2-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide?
The canonical SMILES for 2-methoxy-N-[2-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide is COc1ccccc1C(=O)Nc1ccnn1C1CCN(Cc2cnn(C)c2)CC1.
What is the InChIKey of 2-methoxy-N-[2-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide?
The InChIKey is KLNJGSBACBNOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O2/c1-25-14-16(13-23-25)15-26-11-8-17(9-12-26)27-20(7-10-22-27)24-21(28)18-5-3-4-6-19(18)29-2/h3-7,10,13-14,17H,8-9,11-12,15H2,1-2H3,(H,24,28).
What are the key properties of 2-methoxy-N-[2-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide?
2-methoxy-N-[2-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide has a molecular weight of 394.48 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide is sourced from PubChem (CID 24793895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).