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

C18H28N6O — CID 42345431

IUPAC3-methyl-N-[2-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]butanamide
SMILESCC(C)CC(=O)Nc1ccnn1C1CCN(Cc2cnn(C)c2)CC1
InChIInChI=1S/C18H28N6O/c1-14(2)10-18(25)21-17-4-7-19-24(17)16-5-8-23(9-6-16)13-15-11-20-22(3)12-15/h4,7,11-12,14,16H,5-6,8-10,13H2,1-3H3,(H,21,25)
InChIKeyJQYYHNLZIGRXLQ-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.44
Rot. Bonds6

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

3-methyl-N-[2-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]butanamide (PubChem CID 42345431) has the molecular formula C18H28N6O and a molecular weight of 344.46 g/mol. Its IUPAC name is 3-methyl-N-[2-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[2-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]butanamide
PubChem CID42345431
Molecular FormulaC18H28N6O
Molecular Weight344.46 g/mol
Exact Mass344.23
IUPAC Name3-methyl-N-[2-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]butanamide
SMILESCC(C)CC(=O)Nc1ccnn1C1CCN(Cc2cnn(C)c2)CC1
InChIInChI=1S/C18H28N6O/c1-14(2)10-18(25)21-17-4-7-19-24(17)16-5-8-23(9-6-16)13-15-11-20-22(3)12-15/h4,7,11-12,14,16H,5-6,8-10,13H2,1-3H3,(H,21,25)
InChIKeyJQYYHNLZIGRXLQ-UHFFFAOYSA-N
XLogP2.44
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-{1-[1-(2,6-dimethyl-5-hepten-1-yl)-4-piperidinyl]-1H-pyrazol-5-yl}cyclopentanecarboxamide
CID 24818932
N-(1-{1-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-4-piperidinyl}-1H-pyrazol-5-yl)cyclopentanecarboxamide
CID 24794189
N-{1-[1-(3-methylbutyl)-4-piperidinyl]-1H-pyrazol-5-yl}tetrahydro-3-furancarboxamide
CID 24790483
N-(1-{1-[(1-ethyl-1H-pyrazol-4-yl)methyl]-4-piperidinyl}-1H-pyrazol-5-yl)cyclopentanecarboxamide
CID 24819485
N-(1-{1-[(1-methyl-1H-pyrazol-4-yl)methyl]-4-piperidinyl}-1H-pyrazol-5-yl)cyclopentanecarboxamide
CID 24790288
N-(1-{1-[(1-isopropyl-1H-pyrazol-4-yl)methyl]-4-piperidinyl}-1H-pyrazol-5-yl)cyclopentanecarboxamide
CID 24794235
2-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 53568890
N-(2-propylpyrazol-3-yl)-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide
CID 53600774
2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N-(2-propylpyrazol-3-yl)acetamide
CID 53627192
2-(3,5-dimethylpiperidin-1-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 16294137
N-(1-{1-[2-(1H-pyrazol-1-yl)acetyl]-4-piperidinyl}-1H-pyrazol-5-yl)cyclopentanecarboxamide
CID 25381393
N-(1-{1-[3-(1H-pyrazol-1-yl)propyl]-4-piperidinyl}-1H-pyrazol-5-yl)cyclopentanecarboxamide
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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]butanamide?
The IUPAC name of 3-methyl-N-[2-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]butanamide (CID 42345431) is 3-methyl-N-[2-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]butanamide.
What is the SMILES notation for 3-methyl-N-[2-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]butanamide?
The canonical SMILES for 3-methyl-N-[2-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]butanamide is CC(C)CC(=O)Nc1ccnn1C1CCN(Cc2cnn(C)c2)CC1.
What is the InChIKey of 3-methyl-N-[2-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]butanamide?
The InChIKey is JQYYHNLZIGRXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6O/c1-14(2)10-18(25)21-17-4-7-19-24(17)16-5-8-23(9-6-16)13-15-11-20-22(3)12-15/h4,7,11-12,14,16H,5-6,8-10,13H2,1-3H3,(H,21,25).
What are the key properties of 3-methyl-N-[2-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]butanamide?
3-methyl-N-[2-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]butanamide has a molecular weight of 344.46 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]butanamide is sourced from PubChem (CID 42345431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).