3-tert-butyl-1-[3-(morpholin-4-ylmethyl)phenyl]pyrazole-5-carboxamide

C19H26N4O2 — CID 69292631

IUPAC3-tert-butyl-1-[3-(morpholin-4-ylmethyl)phenyl]pyrazole-5-carboxamide
SMILESCC(C)(C)c1cc(C(N)=O)n(-c2cccc(CN3CCOCC3)c2)n1
InChIInChI=1S/C19H26N4O2/c1-19(2,3)17-12-16(18(20)24)23(21-17)15-6-4-5-14(11-15)13-22-7-9-25-10-8-22/h4-6,11-12H,7-10,13H2,1-3H3,(H2,20,24)
InChIKeyGZVRYGKMKIVSDX-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.10
Rot. Bonds4

About 3-tert-butyl-1-[3-(morpholin-4-ylmethyl)phenyl]pyrazole-5-carboxamide

3-tert-butyl-1-[3-(morpholin-4-ylmethyl)phenyl]pyrazole-5-carboxamide (PubChem CID 69292631) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 3-tert-butyl-1-[3-(morpholin-4-ylmethyl)phenyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-tert-butyl-1-[3-(morpholin-4-ylmethyl)phenyl]pyrazole-5-carboxamide
PubChem CID69292631
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name3-tert-butyl-1-[3-(morpholin-4-ylmethyl)phenyl]pyrazole-5-carboxamide
SMILESCC(C)(C)c1cc(C(N)=O)n(-c2cccc(CN3CCOCC3)c2)n1
InChIInChI=1S/C19H26N4O2/c1-19(2,3)17-12-16(18(20)24)23(21-17)15-6-4-5-14(11-15)13-22-7-9-25-10-8-22/h4-6,11-12H,7-10,13H2,1-3H3,(H2,20,24)
InChIKeyGZVRYGKMKIVSDX-UHFFFAOYSA-N
XLogP2.10
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(6-aminopyrimidin-4-yl)oxyphenyl]-3-[3-tert-butyl-1-[3-(morpholin-4-ylmethyl)phenyl]pyrazol-5-yl]urea
CID 11720866
1-[3-tert-butyl-1-[3-(morpholin-4-ylmethyl)phenyl]pyrazol-5-yl]-3-[4-[6-(methylamino)pyrimidin-4-yl]oxyphenyl]urea
CID 11563076
4-[(2-tert-butyl-4-pyridinyl)methyl]morpholine
CID 58209224
1-methyl-N-[3-(morpholin-4-ylmethyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19477537
bis[3-(morpholin-4-ylmethyl)phenyl]methanone
CID 152548032
[3-tert-butyl-1-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazol-5-yl] carbamate
CID 175206818
3-[[16-[(3-aminophenyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]aniline
CID 15495103
N'-hydroxy-3-(morpholin-4-ylmethyl)benzenecarboximidamide
CID 24694925
ethane;[3-(morpholin-4-ylmethyl)phenyl]methanol
CID 164591484
1-[3-tert-butyl-1-[3-(morpholin-4-ylmethyl)phenyl]pyrazol-5-yl]-3-[(1S,4R)-4-[[3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]urea
CID 86687224
1-[[3-(3-tert-butylpyrazol-1-yl)phenyl]methyl]-4-fluoropiperidine
CID 141366794
1-[3-tert-butyl-1-[3-(2-morpholin-4-ylethyl)phenyl]pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea
CID 15908533

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-[3-(morpholin-4-ylmethyl)phenyl]pyrazole-5-carboxamide?
The IUPAC name of 3-tert-butyl-1-[3-(morpholin-4-ylmethyl)phenyl]pyrazole-5-carboxamide (CID 69292631) is 3-tert-butyl-1-[3-(morpholin-4-ylmethyl)phenyl]pyrazole-5-carboxamide.
What is the SMILES notation for 3-tert-butyl-1-[3-(morpholin-4-ylmethyl)phenyl]pyrazole-5-carboxamide?
The canonical SMILES for 3-tert-butyl-1-[3-(morpholin-4-ylmethyl)phenyl]pyrazole-5-carboxamide is CC(C)(C)c1cc(C(N)=O)n(-c2cccc(CN3CCOCC3)c2)n1.
What is the InChIKey of 3-tert-butyl-1-[3-(morpholin-4-ylmethyl)phenyl]pyrazole-5-carboxamide?
The InChIKey is GZVRYGKMKIVSDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-19(2,3)17-12-16(18(20)24)23(21-17)15-6-4-5-14(11-15)13-22-7-9-25-10-8-22/h4-6,11-12H,7-10,13H2,1-3H3,(H2,20,24).
What are the key properties of 3-tert-butyl-1-[3-(morpholin-4-ylmethyl)phenyl]pyrazole-5-carboxamide?
3-tert-butyl-1-[3-(morpholin-4-ylmethyl)phenyl]pyrazole-5-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-[3-(morpholin-4-ylmethyl)phenyl]pyrazole-5-carboxamide is sourced from PubChem (CID 69292631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).