N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide

C19H25ClN4O2 — CID 60509752

IUPACN-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)NCC(c2ccccc2Cl)N2CCOCC2)n[nH]1
InChIInChI=1S/C19H25ClN4O2/c1-13(2)16-11-17(23-22-16)19(25)21-12-18(24-7-9-26-10-8-24)14-5-3-4-6-15(14)20/h3-6,11,13,18H,7-10,12H2,1-2H3,(H,21,25)(H,22,23)
InChIKeyYPOZVBBSPPQEEN-UHFFFAOYSA-N
MW376.89 g/mol
LogP2.99
Rot. Bonds6

About N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide

N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 60509752) has the molecular formula C19H25ClN4O2 and a molecular weight of 376.89 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
PubChem CID60509752
Molecular FormulaC19H25ClN4O2
Molecular Weight376.89 g/mol
Exact Mass376.17
IUPAC NameN-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)NCC(c2ccccc2Cl)N2CCOCC2)n[nH]1
InChIInChI=1S/C19H25ClN4O2/c1-13(2)16-11-17(23-22-16)19(25)21-12-18(24-7-9-26-10-8-24)14-5-3-4-6-15(14)20/h3-6,11,13,18H,7-10,12H2,1-2H3,(H,21,25)(H,22,23)
InChIKeyYPOZVBBSPPQEEN-UHFFFAOYSA-N
XLogP2.99
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.89
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide (CID 60509752) is N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide is CC(C)c1cc(C(=O)NCC(c2ccccc2Cl)N2CCOCC2)n[nH]1.
What is the InChIKey of N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is YPOZVBBSPPQEEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN4O2/c1-13(2)16-11-17(23-22-16)19(25)21-12-18(24-7-9-26-10-8-24)14-5-3-4-6-15(14)20/h3-6,11,13,18H,7-10,12H2,1-2H3,(H,21,25)(H,22,23).
What are the key properties of N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 376.89 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 60509752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).