3-methyl-N-[2-[1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-4-yl]pyrazol-3-yl]butanamide

C21H34N6O — CID 42596631

IUPAC3-methyl-N-[2-[1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-4-yl]pyrazol-3-yl]butanamide
SMILESCC(C)CC(=O)Nc1ccnn1C1CCN(Cc2cc(CC(C)C)n[nH]2)CC1
InChIInChI=1S/C21H34N6O/c1-15(2)11-17-13-18(25-24-17)14-26-9-6-19(7-10-26)27-20(5-8-22-27)23-21(28)12-16(3)4/h5,8,13,15-16,19H,6-7,9-12,14H2,1-4H3,(H,23,28)(H,24,25)
InChIKeyRFHLAJXUUMMAMH-UHFFFAOYSA-N
MW386.54 g/mol
LogP3.63
Rot. Bonds8

About 3-methyl-N-[2-[1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-4-yl]pyrazol-3-yl]butanamide

3-methyl-N-[2-[1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-4-yl]pyrazol-3-yl]butanamide (PubChem CID 42596631) has the molecular formula C21H34N6O and a molecular weight of 386.54 g/mol. Its IUPAC name is 3-methyl-N-[2-[1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-4-yl]pyrazol-3-yl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[2-[1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-4-yl]pyrazol-3-yl]butanamide
PubChem CID42596631
Molecular FormulaC21H34N6O
Molecular Weight386.54 g/mol
Exact Mass386.28
IUPAC Name3-methyl-N-[2-[1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-4-yl]pyrazol-3-yl]butanamide
SMILESCC(C)CC(=O)Nc1ccnn1C1CCN(Cc2cc(CC(C)C)n[nH]2)CC1
InChIInChI=1S/C21H34N6O/c1-15(2)11-17-13-18(25-24-17)14-26-9-6-19(7-10-26)27-20(5-8-22-27)23-21(28)12-16(3)4/h5,8,13,15-16,19H,6-7,9-12,14H2,1-4H3,(H,23,28)(H,24,25)
InChIKeyRFHLAJXUUMMAMH-UHFFFAOYSA-N
XLogP3.63
TPSA78.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-[2-[1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]pyrazol-3-yl]butanamide
CID 42508756
3-fluoro-N-[2-[1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
CID 42528747
N-[2-[1-[2-(azepan-1-yl)acetyl]piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide
CID 26336788
N-[2-[1-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide
CID 30854337
3-methyl-N-[2-[1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]butanamide
CID 25456681
N-[2-[1-[(2S)-2-aminobutanoyl]piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide
CID 56744490
3-methyl-N-[2-[1-[(2R)-1-methylsulfanylpropan-2-yl]piperidin-4-yl]pyrazol-3-yl]butanamide
CID 25453298
2-methoxy-2-phenyl-N-[2-[1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-4-yl]pyrazol-3-yl]acetamide
CID 45175176
3-methyl-N-[2-[1-(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)piperidin-4-yl]pyrazol-3-yl]butanamide
CID 42152409
N-[2-[1-[(2R)-2-amino-4,4-dimethylpentanoyl]piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide;hydrochloride
CID 154884999
3-methyl-N-[2-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]pyrazol-3-yl]butanamide
CID 56752573
N-[2-[1-[(2S)-2,3-dihydro-1-benzofuran-2-carbonyl]piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide
CID 25377042

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-[1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-4-yl]pyrazol-3-yl]butanamide?
The IUPAC name of 3-methyl-N-[2-[1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-4-yl]pyrazol-3-yl]butanamide (CID 42596631) is 3-methyl-N-[2-[1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-4-yl]pyrazol-3-yl]butanamide.
What is the SMILES notation for 3-methyl-N-[2-[1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-4-yl]pyrazol-3-yl]butanamide?
The canonical SMILES for 3-methyl-N-[2-[1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-4-yl]pyrazol-3-yl]butanamide is CC(C)CC(=O)Nc1ccnn1C1CCN(Cc2cc(CC(C)C)n[nH]2)CC1.
What is the InChIKey of 3-methyl-N-[2-[1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-4-yl]pyrazol-3-yl]butanamide?
The InChIKey is RFHLAJXUUMMAMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N6O/c1-15(2)11-17-13-18(25-24-17)14-26-9-6-19(7-10-26)27-20(5-8-22-27)23-21(28)12-16(3)4/h5,8,13,15-16,19H,6-7,9-12,14H2,1-4H3,(H,23,28)(H,24,25).
What are the key properties of 3-methyl-N-[2-[1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-4-yl]pyrazol-3-yl]butanamide?
3-methyl-N-[2-[1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-4-yl]pyrazol-3-yl]butanamide has a molecular weight of 386.54 g/mol, XLogP of 3.63, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-[1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-4-yl]pyrazol-3-yl]butanamide is sourced from PubChem (CID 42596631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).