(4-chloro-1-methylpyrazol-5-yl)-[4-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone

C16H24ClN7O — CID 70770436

IUPAC(4-chloro-1-methylpyrazol-5-yl)-[4-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
SMILESCN(C)Cc1nnc(C2CCN(C(=O)c3c(Cl)cnn3C)CC2)n1C
InChIInChI=1S/C16H24ClN7O/c1-21(2)10-13-19-20-15(22(13)3)11-5-7-24(8-6-11)16(25)14-12(17)9-18-23(14)4/h9,11H,5-8,10H2,1-4H3
InChIKeyHOWDNPMGYNZXCQ-UHFFFAOYSA-N
MW365.87 g/mol
LogP1.28
Rot. Bonds4

About (4-chloro-1-methylpyrazol-5-yl)-[4-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone

(4-chloro-1-methylpyrazol-5-yl)-[4-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone (PubChem CID 70770436) has the molecular formula C16H24ClN7O and a molecular weight of 365.87 g/mol. Its IUPAC name is (4-chloro-1-methylpyrazol-5-yl)-[4-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-chloro-1-methylpyrazol-5-yl)-[4-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
PubChem CID70770436
Molecular FormulaC16H24ClN7O
Molecular Weight365.87 g/mol
Exact Mass365.17
IUPAC Name(4-chloro-1-methylpyrazol-5-yl)-[4-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
SMILESCN(C)Cc1nnc(C2CCN(C(=O)c3c(Cl)cnn3C)CC2)n1C
InChIInChI=1S/C16H24ClN7O/c1-21(2)10-13-19-20-15(22(13)3)11-5-7-24(8-6-11)16(25)14-12(17)9-18-23(14)4/h9,11H,5-8,10H2,1-4H3
InChIKeyHOWDNPMGYNZXCQ-UHFFFAOYSA-N
XLogP1.28
TPSA72.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.87
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[4-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-(3,5-dimethylphenyl)methanone
CID 70736537
[4-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-imidazo[1,2-a]pyridin-3-ylmethanone
CID 70769055
[4-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 72859715
1-[4-[5-[[2-hydroxyethyl(methyl)amino]methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone
CID 70788572
cyclopentyl-[4-[5-[[2-hydroxyethyl(methyl)amino]methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
CID 70765363
[4-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-[6-(methoxymethyl)-2-pyridinyl]methanone
CID 70761894
cyclopropyl-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
CID 70752240
1-[4-[5-[[2-hydroxyethyl(methyl)amino]methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-2-methylsulfanylethanone
CID 72857711
3H-benzimidazol-5-yl-[4-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
CID 70773877
1-[4-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-2-(2-methylphenoxy)ethanone
CID 70777917
2-[4-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]ethanamine
CID 70732012
[(3S)-1-[1-(4-chloro-1-methylpyrazole-5-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 95551148

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-methylpyrazol-5-yl)-[4-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone?
The IUPAC name of (4-chloro-1-methylpyrazol-5-yl)-[4-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone (CID 70770436) is (4-chloro-1-methylpyrazol-5-yl)-[4-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (4-chloro-1-methylpyrazol-5-yl)-[4-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone?
The canonical SMILES for (4-chloro-1-methylpyrazol-5-yl)-[4-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone is CN(C)Cc1nnc(C2CCN(C(=O)c3c(Cl)cnn3C)CC2)n1C.
What is the InChIKey of (4-chloro-1-methylpyrazol-5-yl)-[4-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone?
The InChIKey is HOWDNPMGYNZXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN7O/c1-21(2)10-13-19-20-15(22(13)3)11-5-7-24(8-6-11)16(25)14-12(17)9-18-23(14)4/h9,11H,5-8,10H2,1-4H3.
What are the key properties of (4-chloro-1-methylpyrazol-5-yl)-[4-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone?
(4-chloro-1-methylpyrazol-5-yl)-[4-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone has a molecular weight of 365.87 g/mol, XLogP of 1.28, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-methylpyrazol-5-yl)-[4-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 70770436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).