4-chloro-1-ethyl-N-(1-methylpiperidin-4-yl)-N-[[(3R)-oxolan-3-yl]methyl]pyrazole-3-carboxamide

C17H27ClN4O2 — CID 99739945

IUPAC4-chloro-1-ethyl-N-(1-methylpiperidin-4-yl)-N-[[(3R)-oxolan-3-yl]methyl]pyrazole-3-carboxamide
SMILESCCn1cc(Cl)c(C(=O)N(C[C@H]2CCOC2)C2CCN(C)CC2)n1
InChIInChI=1S/C17H27ClN4O2/c1-3-21-11-15(18)16(19-21)17(23)22(10-13-6-9-24-12-13)14-4-7-20(2)8-5-14/h11,13-14H,3-10,12H2,1-2H3/t13-/m1/s1
InChIKeyGQNIOCJOFKAEON-CYBMUJFWSA-N
MW354.88 g/mol
LogP2.13
Rot. Bonds5

About 4-chloro-1-ethyl-N-(1-methylpiperidin-4-yl)-N-[[(3R)-oxolan-3-yl]methyl]pyrazole-3-carboxamide

4-chloro-1-ethyl-N-(1-methylpiperidin-4-yl)-N-[[(3R)-oxolan-3-yl]methyl]pyrazole-3-carboxamide (PubChem CID 99739945) has the molecular formula C17H27ClN4O2 and a molecular weight of 354.88 g/mol. Its IUPAC name is 4-chloro-1-ethyl-N-(1-methylpiperidin-4-yl)-N-[[(3R)-oxolan-3-yl]methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-1-ethyl-N-(1-methylpiperidin-4-yl)-N-[[(3R)-oxolan-3-yl]methyl]pyrazole-3-carboxamide
PubChem CID99739945
Molecular FormulaC17H27ClN4O2
Molecular Weight354.88 g/mol
Exact Mass354.18
IUPAC Name4-chloro-1-ethyl-N-(1-methylpiperidin-4-yl)-N-[[(3R)-oxolan-3-yl]methyl]pyrazole-3-carboxamide
SMILESCCn1cc(Cl)c(C(=O)N(C[C@H]2CCOC2)C2CCN(C)CC2)n1
InChIInChI=1S/C17H27ClN4O2/c1-3-21-11-15(18)16(19-21)17(23)22(10-13-6-9-24-12-13)14-4-7-20(2)8-5-14/h11,13-14H,3-10,12H2,1-2H3/t13-/m1/s1
InChIKeyGQNIOCJOFKAEON-CYBMUJFWSA-N
XLogP2.13
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.88
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-ethyl-N-(1-methylpiperidin-4-yl)-N-[[(3R)-oxolan-3-yl]methyl]pyrazole-3-carboxamide?
The IUPAC name of 4-chloro-1-ethyl-N-(1-methylpiperidin-4-yl)-N-[[(3R)-oxolan-3-yl]methyl]pyrazole-3-carboxamide (CID 99739945) is 4-chloro-1-ethyl-N-(1-methylpiperidin-4-yl)-N-[[(3R)-oxolan-3-yl]methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-1-ethyl-N-(1-methylpiperidin-4-yl)-N-[[(3R)-oxolan-3-yl]methyl]pyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-1-ethyl-N-(1-methylpiperidin-4-yl)-N-[[(3R)-oxolan-3-yl]methyl]pyrazole-3-carboxamide is CCn1cc(Cl)c(C(=O)N(C[C@H]2CCOC2)C2CCN(C)CC2)n1.
What is the InChIKey of 4-chloro-1-ethyl-N-(1-methylpiperidin-4-yl)-N-[[(3R)-oxolan-3-yl]methyl]pyrazole-3-carboxamide?
The InChIKey is GQNIOCJOFKAEON-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H27ClN4O2/c1-3-21-11-15(18)16(19-21)17(23)22(10-13-6-9-24-12-13)14-4-7-20(2)8-5-14/h11,13-14H,3-10,12H2,1-2H3/t13-/m1/s1.
What are the key properties of 4-chloro-1-ethyl-N-(1-methylpiperidin-4-yl)-N-[[(3R)-oxolan-3-yl]methyl]pyrazole-3-carboxamide?
4-chloro-1-ethyl-N-(1-methylpiperidin-4-yl)-N-[[(3R)-oxolan-3-yl]methyl]pyrazole-3-carboxamide has a molecular weight of 354.88 g/mol, XLogP of 2.13, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-ethyl-N-(1-methylpiperidin-4-yl)-N-[[(3R)-oxolan-3-yl]methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 99739945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).