4-chloro-N-[4-[[(2R)-2-methylmorpholin-2-yl]methyl]phenyl]-5-propyl-1H-pyrazole-3-carboxamide

C19H25ClN4O2 — CID 129168353

IUPAC4-chloro-N-[4-[[(2R)-2-methylmorpholin-2-yl]methyl]phenyl]-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1[nH]nc(C(=O)Nc2ccc(C[C@]3(C)CNCCO3)cc2)c1Cl
InChIInChI=1S/C19H25ClN4O2/c1-3-4-15-16(20)17(24-23-15)18(25)22-14-7-5-13(6-8-14)11-19(2)12-21-9-10-26-19/h5-8,21H,3-4,9-12H2,1-2H3,(H,22,25)(H,23,24)/t19-/m1/s1
InChIKeyRZTHLNAEHDNSLT-LJQANCHMSA-N
MW376.89 g/mol
LogP3.19
Rot. Bonds6

About 4-chloro-N-[4-[[(2R)-2-methylmorpholin-2-yl]methyl]phenyl]-5-propyl-1H-pyrazole-3-carboxamide

4-chloro-N-[4-[[(2R)-2-methylmorpholin-2-yl]methyl]phenyl]-5-propyl-1H-pyrazole-3-carboxamide (PubChem CID 129168353) has the molecular formula C19H25ClN4O2 and a molecular weight of 376.89 g/mol. Its IUPAC name is 4-chloro-N-[4-[[(2R)-2-methylmorpholin-2-yl]methyl]phenyl]-5-propyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[4-[[(2R)-2-methylmorpholin-2-yl]methyl]phenyl]-5-propyl-1H-pyrazole-3-carboxamide
PubChem CID129168353
Molecular FormulaC19H25ClN4O2
Molecular Weight376.89 g/mol
Exact Mass376.17
IUPAC Name4-chloro-N-[4-[[(2R)-2-methylmorpholin-2-yl]methyl]phenyl]-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1[nH]nc(C(=O)Nc2ccc(C[C@]3(C)CNCCO3)cc2)c1Cl
InChIInChI=1S/C19H25ClN4O2/c1-3-4-15-16(20)17(24-23-15)18(25)22-14-7-5-13(6-8-14)11-19(2)12-21-9-10-26-19/h5-8,21H,3-4,9-12H2,1-2H3,(H,22,25)(H,23,24)/t19-/m1/s1
InChIKeyRZTHLNAEHDNSLT-LJQANCHMSA-N
XLogP3.19
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.89
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-[[(2R)-2-methylmorpholin-2-yl]methyl]phenyl]-5-propyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-chloro-N-[4-[[(2R)-2-methylmorpholin-2-yl]methyl]phenyl]-5-propyl-1H-pyrazole-3-carboxamide (CID 129168353) is 4-chloro-N-[4-[[(2R)-2-methylmorpholin-2-yl]methyl]phenyl]-5-propyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-N-[4-[[(2R)-2-methylmorpholin-2-yl]methyl]phenyl]-5-propyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-N-[4-[[(2R)-2-methylmorpholin-2-yl]methyl]phenyl]-5-propyl-1H-pyrazole-3-carboxamide is CCCc1[nH]nc(C(=O)Nc2ccc(C[C@]3(C)CNCCO3)cc2)c1Cl.
What is the InChIKey of 4-chloro-N-[4-[[(2R)-2-methylmorpholin-2-yl]methyl]phenyl]-5-propyl-1H-pyrazole-3-carboxamide?
The InChIKey is RZTHLNAEHDNSLT-LJQANCHMSA-N. The full InChI is InChI=1S/C19H25ClN4O2/c1-3-4-15-16(20)17(24-23-15)18(25)22-14-7-5-13(6-8-14)11-19(2)12-21-9-10-26-19/h5-8,21H,3-4,9-12H2,1-2H3,(H,22,25)(H,23,24)/t19-/m1/s1.
What are the key properties of 4-chloro-N-[4-[[(2R)-2-methylmorpholin-2-yl]methyl]phenyl]-5-propyl-1H-pyrazole-3-carboxamide?
4-chloro-N-[4-[[(2R)-2-methylmorpholin-2-yl]methyl]phenyl]-5-propyl-1H-pyrazole-3-carboxamide has a molecular weight of 376.89 g/mol, XLogP of 3.19, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-[[(2R)-2-methylmorpholin-2-yl]methyl]phenyl]-5-propyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 129168353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).