5-cyclopropyl-4-methyl-N-(4-morpholin-2-ylphenyl)-1H-pyrazole-3-carboxamide

C18H22N4O2 — CID 164898264

IUPAC5-cyclopropyl-4-methyl-N-(4-morpholin-2-ylphenyl)-1H-pyrazole-3-carboxamide
SMILESCc1c(C(=O)Nc2ccc(C3CNCCO3)cc2)n[nH]c1C1CC1
InChIInChI=1S/C18H22N4O2/c1-11-16(13-2-3-13)21-22-17(11)18(23)20-14-6-4-12(5-7-14)15-10-19-8-9-24-15/h4-7,13,15,19H,2-3,8-10H2,1H3,(H,20,23)(H,21,22)
InChIKeyBLKHUHAJMBJMIB-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.51
Rot. Bonds4

About 5-cyclopropyl-4-methyl-N-(4-morpholin-2-ylphenyl)-1H-pyrazole-3-carboxamide

5-cyclopropyl-4-methyl-N-(4-morpholin-2-ylphenyl)-1H-pyrazole-3-carboxamide (PubChem CID 164898264) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 5-cyclopropyl-4-methyl-N-(4-morpholin-2-ylphenyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-4-methyl-N-(4-morpholin-2-ylphenyl)-1H-pyrazole-3-carboxamide
PubChem CID164898264
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name5-cyclopropyl-4-methyl-N-(4-morpholin-2-ylphenyl)-1H-pyrazole-3-carboxamide
SMILESCc1c(C(=O)Nc2ccc(C3CNCCO3)cc2)n[nH]c1C1CC1
InChIInChI=1S/C18H22N4O2/c1-11-16(13-2-3-13)21-22-17(11)18(23)20-14-6-4-12(5-7-14)15-10-19-8-9-24-15/h4-7,13,15,19H,2-3,8-10H2,1H3,(H,20,23)(H,21,22)
InChIKeyBLKHUHAJMBJMIB-UHFFFAOYSA-N
XLogP2.51
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-(4-morpholin-2-ylphenyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 164898260
bis(5-ethyl-4-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]-1H-pyrazole-3-carboxamide);sulfuric acid
CID 175814665
4-chloro-5-methyl-N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-1H-pyrazole-3-carboxamide
CID 118484454
4-chloro-2-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]benzamide
CID 130184022
3-(4-chlorophenyl)-N-(4-morpholin-2-ylphenyl)-1H-pyrazole-5-carboxamide
CID 71087529
2,6-dichloro-N-[4-[(2R)-morpholin-2-yl]phenyl]benzamide
CID 129387150
4-methoxy-N-(4-morpholin-2-ylphenyl)benzamide;hydrochloride
CID 67239468
3-(4-chlorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]-1H-pyrazole-5-carboxamide;hydrochloride
CID 71087692
4-formyl-N-(4-morpholin-2-ylphenyl)benzamide
CID 86673956
3-(2-methoxyphenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]-1H-pyrazole-5-carboxamide;hydrochloride
CID 71087965
tert-butyl N-(4-morpholin-2-ylphenyl)carbamate
CID 117446363
4-ethoxy-N-[4-[(2S)-morpholin-2-yl]phenyl]benzamide
CID 67239889

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-4-methyl-N-(4-morpholin-2-ylphenyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-4-methyl-N-(4-morpholin-2-ylphenyl)-1H-pyrazole-3-carboxamide (CID 164898264) is 5-cyclopropyl-4-methyl-N-(4-morpholin-2-ylphenyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-4-methyl-N-(4-morpholin-2-ylphenyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-4-methyl-N-(4-morpholin-2-ylphenyl)-1H-pyrazole-3-carboxamide is Cc1c(C(=O)Nc2ccc(C3CNCCO3)cc2)n[nH]c1C1CC1.
What is the InChIKey of 5-cyclopropyl-4-methyl-N-(4-morpholin-2-ylphenyl)-1H-pyrazole-3-carboxamide?
The InChIKey is BLKHUHAJMBJMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-11-16(13-2-3-13)21-22-17(11)18(23)20-14-6-4-12(5-7-14)15-10-19-8-9-24-15/h4-7,13,15,19H,2-3,8-10H2,1H3,(H,20,23)(H,21,22).
What are the key properties of 5-cyclopropyl-4-methyl-N-(4-morpholin-2-ylphenyl)-1H-pyrazole-3-carboxamide?
5-cyclopropyl-4-methyl-N-(4-morpholin-2-ylphenyl)-1H-pyrazole-3-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 2.51, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-4-methyl-N-(4-morpholin-2-ylphenyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 164898264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).