(4-chloro-1-methylpyrazol-3-yl)-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methanone

C16H22ClN5O2 — CID 70766242

IUPAC(4-chloro-1-methylpyrazol-3-yl)-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methanone
SMILESCOCCn1ccnc1C1CCN(C(=O)c2nn(C)cc2Cl)CC1
InChIInChI=1S/C16H22ClN5O2/c1-20-11-13(17)14(19-20)16(23)22-6-3-12(4-7-22)15-18-5-8-21(15)9-10-24-2/h5,8,11-12H,3-4,6-7,9-10H2,1-2H3
InChIKeyUIZKCACVDNOWQA-UHFFFAOYSA-N
MW351.84 g/mol
LogP1.94
Rot. Bonds5

About (4-chloro-1-methylpyrazol-3-yl)-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methanone

(4-chloro-1-methylpyrazol-3-yl)-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methanone (PubChem CID 70766242) has the molecular formula C16H22ClN5O2 and a molecular weight of 351.84 g/mol. Its IUPAC name is (4-chloro-1-methylpyrazol-3-yl)-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-chloro-1-methylpyrazol-3-yl)-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methanone
PubChem CID70766242
Molecular FormulaC16H22ClN5O2
Molecular Weight351.84 g/mol
Exact Mass351.15
IUPAC Name(4-chloro-1-methylpyrazol-3-yl)-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methanone
SMILESCOCCn1ccnc1C1CCN(C(=O)c2nn(C)cc2Cl)CC1
InChIInChI=1S/C16H22ClN5O2/c1-20-11-13(17)14(19-20)16(23)22-6-3-12(4-7-22)15-18-5-8-21(15)9-10-24-2/h5,8,11-12H,3-4,6-7,9-10H2,1-2H3
InChIKeyUIZKCACVDNOWQA-UHFFFAOYSA-N
XLogP1.94
TPSA65.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.84
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-methylpyrazol-3-yl)-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methanone?
The IUPAC name of (4-chloro-1-methylpyrazol-3-yl)-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methanone (CID 70766242) is (4-chloro-1-methylpyrazol-3-yl)-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (4-chloro-1-methylpyrazol-3-yl)-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for (4-chloro-1-methylpyrazol-3-yl)-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methanone is COCCn1ccnc1C1CCN(C(=O)c2nn(C)cc2Cl)CC1.
What is the InChIKey of (4-chloro-1-methylpyrazol-3-yl)-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methanone?
The InChIKey is UIZKCACVDNOWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN5O2/c1-20-11-13(17)14(19-20)16(23)22-6-3-12(4-7-22)15-18-5-8-21(15)9-10-24-2/h5,8,11-12H,3-4,6-7,9-10H2,1-2H3.
What are the key properties of (4-chloro-1-methylpyrazol-3-yl)-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methanone?
(4-chloro-1-methylpyrazol-3-yl)-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 351.84 g/mol, XLogP of 1.94, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-methylpyrazol-3-yl)-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 70766242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).