5-(difluoromethyl)-N-[(4-morpholin-4-yloxan-4-yl)methyl]-1-pyridin-4-ylpyrazole-4-carboxamide

C20H25F2N5O3 — CID 154779338

IUPAC5-(difluoromethyl)-N-[(4-morpholin-4-yloxan-4-yl)methyl]-1-pyridin-4-ylpyrazole-4-carboxamide
SMILESO=C(NCC1(N2CCOCC2)CCOCC1)c1cnn(-c2ccncc2)c1C(F)F
InChIInChI=1S/C20H25F2N5O3/c21-18(22)17-16(13-25-27(17)15-1-5-23-6-2-15)19(28)24-14-20(3-9-29-10-4-20)26-7-11-30-12-8-26/h1-2,5-6,13,18H,3-4,7-12,14H2,(H,24,28)
InChIKeyYHQZLXXRQMUGKK-UHFFFAOYSA-N
MW421.45 g/mol
LogP1.82
Rot. Bonds6

About 5-(difluoromethyl)-N-[(4-morpholin-4-yloxan-4-yl)methyl]-1-pyridin-4-ylpyrazole-4-carboxamide

5-(difluoromethyl)-N-[(4-morpholin-4-yloxan-4-yl)methyl]-1-pyridin-4-ylpyrazole-4-carboxamide (PubChem CID 154779338) has the molecular formula C20H25F2N5O3 and a molecular weight of 421.45 g/mol. Its IUPAC name is 5-(difluoromethyl)-N-[(4-morpholin-4-yloxan-4-yl)methyl]-1-pyridin-4-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(difluoromethyl)-N-[(4-morpholin-4-yloxan-4-yl)methyl]-1-pyridin-4-ylpyrazole-4-carboxamide
PubChem CID154779338
Molecular FormulaC20H25F2N5O3
Molecular Weight421.45 g/mol
Exact Mass421.19
IUPAC Name5-(difluoromethyl)-N-[(4-morpholin-4-yloxan-4-yl)methyl]-1-pyridin-4-ylpyrazole-4-carboxamide
SMILESO=C(NCC1(N2CCOCC2)CCOCC1)c1cnn(-c2ccncc2)c1C(F)F
InChIInChI=1S/C20H25F2N5O3/c21-18(22)17-16(13-25-27(17)15-1-5-23-6-2-15)19(28)24-14-20(3-9-29-10-4-20)26-7-11-30-12-8-26/h1-2,5-6,13,18H,3-4,7-12,14H2,(H,24,28)
InChIKeyYHQZLXXRQMUGKK-UHFFFAOYSA-N
XLogP1.82
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.45
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[[[1-(4-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]methyl]oxane-4-carboxylic acid
CID 120542330
5-methyl-1-(2-methylphenyl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]pyrazole-4-carboxamide
CID 126775757
1-[4-(furan-2-yl)pyrimidin-2-yl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]-5-propan-2-ylpyrazole-4-carboxamide
CID 118757309
5-(difluoromethyl)-N-(4-piperazin-1-yl-2-pyridinyl)-1-pyridin-4-ylpyrazole-4-carboxamide
CID 166298631
N-[(4-morpholin-4-yloxan-4-yl)methyl]-3-(prop-2-enoylamino)benzamide
CID 166407354
2-fluoro-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide;hydrochloride
CID 20995028
2-fluoro-N-[(4-morpholin-4-ylthian-4-yl)methyl]benzamide
CID 139028683
5-chloro-2-fluoro-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
CID 18150722
N-[(1-morpholin-4-ylcyclohexyl)methyl]-4-(pyridin-4-ylmethoxy)benzamide
CID 34949414
2,5-dichloro-N-[(1-morpholin-4-ylcyclobutyl)methyl]benzamide
CID 139027826
N-[(1-morpholin-4-ylcyclopentyl)methyl]-3-pyridin-4-ylazetidine-1-carboxamide
CID 119066543
3-fluoro-N-[(1-morpholin-4-ylcyclobutyl)methyl]benzamide
CID 139028737

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-N-[(4-morpholin-4-yloxan-4-yl)methyl]-1-pyridin-4-ylpyrazole-4-carboxamide?
The IUPAC name of 5-(difluoromethyl)-N-[(4-morpholin-4-yloxan-4-yl)methyl]-1-pyridin-4-ylpyrazole-4-carboxamide (CID 154779338) is 5-(difluoromethyl)-N-[(4-morpholin-4-yloxan-4-yl)methyl]-1-pyridin-4-ylpyrazole-4-carboxamide.
What is the SMILES notation for 5-(difluoromethyl)-N-[(4-morpholin-4-yloxan-4-yl)methyl]-1-pyridin-4-ylpyrazole-4-carboxamide?
The canonical SMILES for 5-(difluoromethyl)-N-[(4-morpholin-4-yloxan-4-yl)methyl]-1-pyridin-4-ylpyrazole-4-carboxamide is O=C(NCC1(N2CCOCC2)CCOCC1)c1cnn(-c2ccncc2)c1C(F)F.
What is the InChIKey of 5-(difluoromethyl)-N-[(4-morpholin-4-yloxan-4-yl)methyl]-1-pyridin-4-ylpyrazole-4-carboxamide?
The InChIKey is YHQZLXXRQMUGKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F2N5O3/c21-18(22)17-16(13-25-27(17)15-1-5-23-6-2-15)19(28)24-14-20(3-9-29-10-4-20)26-7-11-30-12-8-26/h1-2,5-6,13,18H,3-4,7-12,14H2,(H,24,28).
What are the key properties of 5-(difluoromethyl)-N-[(4-morpholin-4-yloxan-4-yl)methyl]-1-pyridin-4-ylpyrazole-4-carboxamide?
5-(difluoromethyl)-N-[(4-morpholin-4-yloxan-4-yl)methyl]-1-pyridin-4-ylpyrazole-4-carboxamide has a molecular weight of 421.45 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-N-[(4-morpholin-4-yloxan-4-yl)methyl]-1-pyridin-4-ylpyrazole-4-carboxamide is sourced from PubChem (CID 154779338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).