(4-chloro-1-methylpyrazol-5-yl)-[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]methanone

C19H25ClN4O — CID 70769553

IUPAC(4-chloro-1-methylpyrazol-5-yl)-[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]methanone
SMILESCN(C)Cc1ccc(C2CCCCN2C(=O)c2c(Cl)cnn2C)cc1
InChIInChI=1S/C19H25ClN4O/c1-22(2)13-14-7-9-15(10-8-14)17-6-4-5-11-24(17)19(25)18-16(20)12-21-23(18)3/h7-10,12,17H,4-6,11,13H2,1-3H3
InChIKeyVYUNVKXMPXRPDA-UHFFFAOYSA-N
MW360.89 g/mol
LogP3.50
Rot. Bonds4

About (4-chloro-1-methylpyrazol-5-yl)-[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]methanone

(4-chloro-1-methylpyrazol-5-yl)-[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]methanone (PubChem CID 70769553) has the molecular formula C19H25ClN4O and a molecular weight of 360.89 g/mol. Its IUPAC name is (4-chloro-1-methylpyrazol-5-yl)-[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-chloro-1-methylpyrazol-5-yl)-[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]methanone
PubChem CID70769553
Molecular FormulaC19H25ClN4O
Molecular Weight360.89 g/mol
Exact Mass360.17
IUPAC Name(4-chloro-1-methylpyrazol-5-yl)-[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]methanone
SMILESCN(C)Cc1ccc(C2CCCCN2C(=O)c2c(Cl)cnn2C)cc1
InChIInChI=1S/C19H25ClN4O/c1-22(2)13-14-7-9-15(10-8-14)17-6-4-5-11-24(17)19(25)18-16(20)12-21-23(18)3/h7-10,12,17H,4-6,11,13H2,1-3H3
InChIKeyVYUNVKXMPXRPDA-UHFFFAOYSA-N
XLogP3.50
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.89
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-(2-ethylpyrimidin-5-yl)methanone
CID 97190267
[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 70706627
(4-chloro-1H-pyrrol-2-yl)-[(2R)-2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]methanone
CID 126436777
[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-(2,4-dimethylpyrimidin-5-yl)methanone
CID 70764712
[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-(3-methylimidazo[1,2-a]pyridin-2-yl)methanone
CID 154569313
[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-thiophen-3-ylmethanone
CID 70709336
4-[2-[4-[(dimethylamino)methyl]phenyl]piperidine-1-carbonyl]-1-methylpyridin-2-one
CID 70719498
(4-chloro-2-methoxyphenyl)-[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]methanone
CID 131921576
[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone
CID 118763717
1-[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-2-(methylamino)ethanone
CID 56873767
(3-amino-4-chloro-1H-pyrazol-5-yl)-[2-[4-[(dimethylamino)methyl]phenyl]pyrrolidin-1-yl]methanone
CID 77098141
(4-chloro-1-methylpyrazol-5-yl)-[(2R)-2-(2-fluorophenyl)pyrrolidin-1-yl]methanone
CID 51856497

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-methylpyrazol-5-yl)-[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]methanone?
The IUPAC name of (4-chloro-1-methylpyrazol-5-yl)-[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]methanone (CID 70769553) is (4-chloro-1-methylpyrazol-5-yl)-[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]methanone.
What is the SMILES notation for (4-chloro-1-methylpyrazol-5-yl)-[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]methanone?
The canonical SMILES for (4-chloro-1-methylpyrazol-5-yl)-[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]methanone is CN(C)Cc1ccc(C2CCCCN2C(=O)c2c(Cl)cnn2C)cc1.
What is the InChIKey of (4-chloro-1-methylpyrazol-5-yl)-[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]methanone?
The InChIKey is VYUNVKXMPXRPDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN4O/c1-22(2)13-14-7-9-15(10-8-14)17-6-4-5-11-24(17)19(25)18-16(20)12-21-23(18)3/h7-10,12,17H,4-6,11,13H2,1-3H3.
What are the key properties of (4-chloro-1-methylpyrazol-5-yl)-[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]methanone?
(4-chloro-1-methylpyrazol-5-yl)-[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]methanone has a molecular weight of 360.89 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-methylpyrazol-5-yl)-[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]methanone is sourced from PubChem (CID 70769553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).