1-[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-imidazol-1-ylpropan-1-one

C21H25N5O — CID 118795553

IUPAC1-[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-imidazol-1-ylpropan-1-one
SMILESO=C(CCn1ccnc1)N1CCC(c2cc(Cc3ccccc3)[nH]n2)CC1
InChIInChI=1S/C21H25N5O/c27-21(8-10-25-13-9-22-16-25)26-11-6-18(7-12-26)20-15-19(23-24-20)14-17-4-2-1-3-5-17/h1-5,9,13,15-16,18H,6-8,10-12,14H2,(H,23,24)
InChIKeyNKOXQGMWHJVUDF-UHFFFAOYSA-N
MW363.46 g/mol
LogP2.99
Rot. Bonds6

About 1-[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-imidazol-1-ylpropan-1-one

1-[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-imidazol-1-ylpropan-1-one (PubChem CID 118795553) has the molecular formula C21H25N5O and a molecular weight of 363.46 g/mol. Its IUPAC name is 1-[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-imidazol-1-ylpropan-1-one.

Molecular Properties

Compound Name1-[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-imidazol-1-ylpropan-1-one
PubChem CID118795553
Molecular FormulaC21H25N5O
Molecular Weight363.46 g/mol
Exact Mass363.21
IUPAC Name1-[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-imidazol-1-ylpropan-1-one
SMILESO=C(CCn1ccnc1)N1CCC(c2cc(Cc3ccccc3)[nH]n2)CC1
InChIInChI=1S/C21H25N5O/c27-21(8-10-25-13-9-22-16-25)26-11-6-18(7-12-26)20-15-19(23-24-20)14-17-4-2-1-3-5-17/h1-5,9,13,15-16,18H,6-8,10-12,14H2,(H,23,24)
InChIKeyNKOXQGMWHJVUDF-UHFFFAOYSA-N
XLogP2.99
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-imidazol-1-ylpropan-1-one with MolForge

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Related Compounds

1-[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]-3,3,3-trifluoropropan-1-one
CID 56717699
1-[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]-2-pyrrolidin-1-ylethane-1,2-dione
CID 56705721
[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]-(2,6-dihydroxyphenyl)methanone
CID 56716769
3-[4-(5-benzyl-1H-pyrazol-3-yl)piperidine-1-carbonyl]piperidin-2-one
CID 56712711
1-[3-(5-benzyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)pyrrolidin-1-yl]-3-imidazol-1-ylpropan-1-one
CID 155882574
[(1S,3R,4R)-3-amino-4-hydroxycyclopentyl]-[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone
CID 155501278
3-imidazol-1-yl-1-[4-(7-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]propan-1-one
CID 110132773
[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]-[(3S)-1-ethylpyrrolidin-3-yl]methanone
CID 95206961
(6R)-6-[4-(5-benzyl-1H-pyrazol-3-yl)piperidine-1-carbonyl]-1,3-diazinane-2,4-dione
CID 56705943
1-[3-[4-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one
CID 139000061
[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]-[(5S)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]methanone
CID 95228912
1-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-4-phenylbutan-1-one
CID 71788587

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-imidazol-1-ylpropan-1-one?
The IUPAC name of 1-[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-imidazol-1-ylpropan-1-one (CID 118795553) is 1-[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-imidazol-1-ylpropan-1-one.
What is the SMILES notation for 1-[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-imidazol-1-ylpropan-1-one?
The canonical SMILES for 1-[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-imidazol-1-ylpropan-1-one is O=C(CCn1ccnc1)N1CCC(c2cc(Cc3ccccc3)[nH]n2)CC1.
What is the InChIKey of 1-[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-imidazol-1-ylpropan-1-one?
The InChIKey is NKOXQGMWHJVUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c27-21(8-10-25-13-9-22-16-25)26-11-6-18(7-12-26)20-15-19(23-24-20)14-17-4-2-1-3-5-17/h1-5,9,13,15-16,18H,6-8,10-12,14H2,(H,23,24).
What are the key properties of 1-[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-imidazol-1-ylpropan-1-one?
1-[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-imidazol-1-ylpropan-1-one has a molecular weight of 363.46 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-imidazol-1-ylpropan-1-one is sourced from PubChem (CID 118795553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).