5-ethyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-1-phenylpyrazole-4-carboxamide

C22H25N5O2 — CID 32588419

IUPAC5-ethyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-1-phenylpyrazole-4-carboxamide
SMILESCCc1c(C(=O)NCc2ccnc(N3CCOCC3)c2)cnn1-c1ccccc1
InChIInChI=1S/C22H25N5O2/c1-2-20-19(16-25-27(20)18-6-4-3-5-7-18)22(28)24-15-17-8-9-23-21(14-17)26-10-12-29-13-11-26/h3-9,14,16H,2,10-13,15H2,1H3,(H,24,28)
InChIKeyTWBKMLXRTQKWHF-UHFFFAOYSA-N
MW391.48 g/mol
LogP2.60
Rot. Bonds6

About 5-ethyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-1-phenylpyrazole-4-carboxamide

5-ethyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-1-phenylpyrazole-4-carboxamide (PubChem CID 32588419) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is 5-ethyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-1-phenylpyrazole-4-carboxamide
PubChem CID32588419
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name5-ethyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-1-phenylpyrazole-4-carboxamide
SMILESCCc1c(C(=O)NCc2ccnc(N3CCOCC3)c2)cnn1-c1ccccc1
InChIInChI=1S/C22H25N5O2/c1-2-20-19(16-25-27(20)18-6-4-3-5-7-18)22(28)24-15-17-8-9-23-21(14-17)26-10-12-29-13-11-26/h3-9,14,16H,2,10-13,15H2,1H3,(H,24,28)
InChIKeyTWBKMLXRTQKWHF-UHFFFAOYSA-N
XLogP2.60
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-ethyl-1-phenylpyrazole-4-carboxamide
CID 55569850
2-amino-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide;dihydrochloride
CID 119946489
N-[(2-morpholin-4-yl-4-pyridinyl)methyl]butanamide
CID 32585359
N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-(trifluoromethyl)benzamide
CID 33031482
1-(3-chlorophenyl)-5-ethyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 55814229
2,5-dimethyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide
CID 32585579
N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-phenylsulfanylpyridine-3-carboxamide
CID 32587833
2-(2-methylphenyl)-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]acetamide
CID 32586117
5-ethyl-1-(4-fluorophenyl)-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]pyrazole-4-carboxamide
CID 55847605
2-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]propanamide
CID 32585275
2-methoxy-N-[3-[(2-morpholin-4-yl-4-pyridinyl)methylamino]-3-oxopropyl]benzamide
CID 32584361
1-benzyl-5-ethyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pyrazole-4-carboxamide
CID 78872062

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 5-ethyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-1-phenylpyrazole-4-carboxamide (CID 32588419) is 5-ethyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 5-ethyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 5-ethyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-1-phenylpyrazole-4-carboxamide is CCc1c(C(=O)NCc2ccnc(N3CCOCC3)c2)cnn1-c1ccccc1.
What is the InChIKey of 5-ethyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-1-phenylpyrazole-4-carboxamide?
The InChIKey is TWBKMLXRTQKWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-2-20-19(16-25-27(20)18-6-4-3-5-7-18)22(28)24-15-17-8-9-23-21(14-17)26-10-12-29-13-11-26/h3-9,14,16H,2,10-13,15H2,1H3,(H,24,28).
What are the key properties of 5-ethyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-1-phenylpyrazole-4-carboxamide?
5-ethyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-1-phenylpyrazole-4-carboxamide has a molecular weight of 391.48 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 32588419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).