(2S)-1-[4-(1-butylimidazol-2-yl)piperidin-1-yl]-2-methyl-3-pyrazol-1-ylpropan-1-one

C19H29N5O — CID 97143967

IUPAC(2S)-1-[4-(1-butylimidazol-2-yl)piperidin-1-yl]-2-methyl-3-pyrazol-1-ylpropan-1-one
SMILESCCCCn1ccnc1C1CCN(C(=O)[C@@H](C)Cn2cccn2)CC1
InChIInChI=1S/C19H29N5O/c1-3-4-10-22-14-9-20-18(22)17-6-12-23(13-7-17)19(25)16(2)15-24-11-5-8-21-24/h5,8-9,11,14,16-17H,3-4,6-7,10,12-13,15H2,1-2H3/t16-/m0/s1
InChIKeyVUFCMHPOKCFRDN-INIZCTEOSA-N
MW343.48 g/mol
LogP2.92
Rot. Bonds7

About (2S)-1-[4-(1-butylimidazol-2-yl)piperidin-1-yl]-2-methyl-3-pyrazol-1-ylpropan-1-one

(2S)-1-[4-(1-butylimidazol-2-yl)piperidin-1-yl]-2-methyl-3-pyrazol-1-ylpropan-1-one (PubChem CID 97143967) has the molecular formula C19H29N5O and a molecular weight of 343.48 g/mol. Its IUPAC name is (2S)-1-[4-(1-butylimidazol-2-yl)piperidin-1-yl]-2-methyl-3-pyrazol-1-ylpropan-1-one.

Molecular Properties

Compound Name(2S)-1-[4-(1-butylimidazol-2-yl)piperidin-1-yl]-2-methyl-3-pyrazol-1-ylpropan-1-one
PubChem CID97143967
Molecular FormulaC19H29N5O
Molecular Weight343.48 g/mol
Exact Mass343.24
IUPAC Name(2S)-1-[4-(1-butylimidazol-2-yl)piperidin-1-yl]-2-methyl-3-pyrazol-1-ylpropan-1-one
SMILESCCCCn1ccnc1C1CCN(C(=O)[C@@H](C)Cn2cccn2)CC1
InChIInChI=1S/C19H29N5O/c1-3-4-10-22-14-9-20-18(22)17-6-12-23(13-7-17)19(25)16(2)15-24-11-5-8-21-24/h5,8-9,11,14,16-17H,3-4,6-7,10,12-13,15H2,1-2H3/t16-/m0/s1
InChIKeyVUFCMHPOKCFRDN-INIZCTEOSA-N
XLogP2.92
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.48
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2S)-1-[4-(1-butylimidazol-2-yl)piperidin-1-yl]-2-methyl-3-pyrazol-1-ylpropan-1-one with MolForge

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Related Compounds

1-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-2-methyl-3-pyrazol-1-ylpropan-1-one
CID 72851264
1-[4-(1-butylimidazol-2-yl)piperidin-1-yl]-2-(3,5-dimethylpyrazol-1-yl)propan-1-one
CID 72925619
2-(azepan-1-yl)-1-[4-(1-butylimidazol-2-yl)piperidin-1-yl]ethanone
CID 72854261
[4-(1-butylimidazol-2-yl)piperidin-1-yl]-(2-methylphenyl)methanone
CID 72882305
1-[4-(1-butylimidazol-2-yl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 72854193
(4R)-4-[4-(1-butylimidazol-2-yl)piperidine-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one
CID 97274448
4-(1-butylimidazol-2-yl)-1-propan-2-ylsulfonylpiperidine
CID 72924987
1-[4-(1-butylimidazol-2-yl)piperidin-1-yl]-3-(1-methylpyrazol-4-yl)propan-1-one
CID 70781021
(2R)-2-methyl-1-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 97276713
(2R)-1-[4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-2-phenylpropan-1-one
CID 97206870
3-[2-[4-(1-butylimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
CID 72859867
[4-(1-butylimidazol-2-yl)piperidin-1-yl]-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone
CID 72936622

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[4-(1-butylimidazol-2-yl)piperidin-1-yl]-2-methyl-3-pyrazol-1-ylpropan-1-one?
The IUPAC name of (2S)-1-[4-(1-butylimidazol-2-yl)piperidin-1-yl]-2-methyl-3-pyrazol-1-ylpropan-1-one (CID 97143967) is (2S)-1-[4-(1-butylimidazol-2-yl)piperidin-1-yl]-2-methyl-3-pyrazol-1-ylpropan-1-one.
What is the SMILES notation for (2S)-1-[4-(1-butylimidazol-2-yl)piperidin-1-yl]-2-methyl-3-pyrazol-1-ylpropan-1-one?
The canonical SMILES for (2S)-1-[4-(1-butylimidazol-2-yl)piperidin-1-yl]-2-methyl-3-pyrazol-1-ylpropan-1-one is CCCCn1ccnc1C1CCN(C(=O)[C@@H](C)Cn2cccn2)CC1.
What is the InChIKey of (2S)-1-[4-(1-butylimidazol-2-yl)piperidin-1-yl]-2-methyl-3-pyrazol-1-ylpropan-1-one?
The InChIKey is VUFCMHPOKCFRDN-INIZCTEOSA-N. The full InChI is InChI=1S/C19H29N5O/c1-3-4-10-22-14-9-20-18(22)17-6-12-23(13-7-17)19(25)16(2)15-24-11-5-8-21-24/h5,8-9,11,14,16-17H,3-4,6-7,10,12-13,15H2,1-2H3/t16-/m0/s1.
What are the key properties of (2S)-1-[4-(1-butylimidazol-2-yl)piperidin-1-yl]-2-methyl-3-pyrazol-1-ylpropan-1-one?
(2S)-1-[4-(1-butylimidazol-2-yl)piperidin-1-yl]-2-methyl-3-pyrazol-1-ylpropan-1-one has a molecular weight of 343.48 g/mol, XLogP of 2.92, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[4-(1-butylimidazol-2-yl)piperidin-1-yl]-2-methyl-3-pyrazol-1-ylpropan-1-one is sourced from PubChem (CID 97143967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).