N-[5-(4-methoxyphenyl)-4-methyl-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide

C20H28N4O2 — CID 59174000

IUPACN-[5-(4-methoxyphenyl)-4-methyl-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide
SMILESCOc1ccc(-c2[nH]nc(NC(=O)CCCN3CCCCC3)c2C)cc1
InChIInChI=1S/C20H28N4O2/c1-15-19(16-8-10-17(26-2)11-9-16)22-23-20(15)21-18(25)7-6-14-24-12-4-3-5-13-24/h8-11H,3-7,12-14H2,1-2H3,(H2,21,22,23,25)
InChIKeyCAZYKPSZUNLBID-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.60
Rot. Bonds7

About N-[5-(4-methoxyphenyl)-4-methyl-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide

N-[5-(4-methoxyphenyl)-4-methyl-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide (PubChem CID 59174000) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is N-[5-(4-methoxyphenyl)-4-methyl-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide.

Molecular Properties

Compound NameN-[5-(4-methoxyphenyl)-4-methyl-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide
PubChem CID59174000
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC NameN-[5-(4-methoxyphenyl)-4-methyl-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide
SMILESCOc1ccc(-c2[nH]nc(NC(=O)CCCN3CCCCC3)c2C)cc1
InChIInChI=1S/C20H28N4O2/c1-15-19(16-8-10-17(26-2)11-9-16)22-23-20(15)21-18(25)7-6-14-24-12-4-3-5-13-24/h8-11H,3-7,12-14H2,1-2H3,(H2,21,22,23,25)
InChIKeyCAZYKPSZUNLBID-UHFFFAOYSA-N
XLogP3.60
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(azepan-1-yl)-N-[5-(4-methoxyphenyl)-4-methyl-1H-pyrazol-3-yl]pentanamide
CID 24998042
N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide
CID 25029711
N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-piperidin-1-ylbutanamide
CID 13185367
4-(azepan-1-yl)-N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]butanamide
CID 25029479
N-[4-(azepan-1-yl)butyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 70712358
N-[5-(4-propan-2-yloxyphenyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide
CID 59174009
N-[5-(5-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide
CID 44621198
formic acid;N-[5-(5-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide
CID 67188676
4-pyrrolidin-1-yl-N-[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]butanamide
CID 59173832
3-(4-methoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)-1H-pyrazole-5-carboxamide
CID 70721553
N-[5-[4-(difluoromethoxy)-3-methoxyphenyl]-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide
CID 59173768
N-[4-(3-methoxyphenyl)phenyl]-5-pyrrolidin-1-ylpentanamide
CID 59840445

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-methoxyphenyl)-4-methyl-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide?
The IUPAC name of N-[5-(4-methoxyphenyl)-4-methyl-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide (CID 59174000) is N-[5-(4-methoxyphenyl)-4-methyl-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide.
What is the SMILES notation for N-[5-(4-methoxyphenyl)-4-methyl-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide?
The canonical SMILES for N-[5-(4-methoxyphenyl)-4-methyl-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide is COc1ccc(-c2[nH]nc(NC(=O)CCCN3CCCCC3)c2C)cc1.
What is the InChIKey of N-[5-(4-methoxyphenyl)-4-methyl-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide?
The InChIKey is CAZYKPSZUNLBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-15-19(16-8-10-17(26-2)11-9-16)22-23-20(15)21-18(25)7-6-14-24-12-4-3-5-13-24/h8-11H,3-7,12-14H2,1-2H3,(H2,21,22,23,25).
What are the key properties of N-[5-(4-methoxyphenyl)-4-methyl-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide?
N-[5-(4-methoxyphenyl)-4-methyl-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide has a molecular weight of 356.47 g/mol, XLogP of 3.60, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-methoxyphenyl)-4-methyl-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide is sourced from PubChem (CID 59174000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).