N-(3-amino-3-oxopropyl)-4-(2-fluorophenyl)-5-(morpholin-4-ylmethyl)-1H-pyrazole-3-carboxamide

C18H22FN5O3 — CID 171539147

IUPACN-(3-amino-3-oxopropyl)-4-(2-fluorophenyl)-5-(morpholin-4-ylmethyl)-1H-pyrazole-3-carboxamide
SMILESNC(=O)CCNC(=O)c1n[nH]c(CN2CCOCC2)c1-c1ccccc1F
InChIInChI=1S/C18H22FN5O3/c19-13-4-2-1-3-12(13)16-14(11-24-7-9-27-10-8-24)22-23-17(16)18(26)21-6-5-15(20)25/h1-4H,5-11H2,(H2,20,25)(H,21,26)(H,22,23)
InChIKeyHRWOZEUFRUVSTK-UHFFFAOYSA-N
MW375.40 g/mol
LogP0.65
Rot. Bonds7

About N-(3-amino-3-oxopropyl)-4-(2-fluorophenyl)-5-(morpholin-4-ylmethyl)-1H-pyrazole-3-carboxamide

N-(3-amino-3-oxopropyl)-4-(2-fluorophenyl)-5-(morpholin-4-ylmethyl)-1H-pyrazole-3-carboxamide (PubChem CID 171539147) has the molecular formula C18H22FN5O3 and a molecular weight of 375.40 g/mol. Its IUPAC name is N-(3-amino-3-oxopropyl)-4-(2-fluorophenyl)-5-(morpholin-4-ylmethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-amino-3-oxopropyl)-4-(2-fluorophenyl)-5-(morpholin-4-ylmethyl)-1H-pyrazole-3-carboxamide
PubChem CID171539147
Molecular FormulaC18H22FN5O3
Molecular Weight375.40 g/mol
Exact Mass375.17
IUPAC NameN-(3-amino-3-oxopropyl)-4-(2-fluorophenyl)-5-(morpholin-4-ylmethyl)-1H-pyrazole-3-carboxamide
SMILESNC(=O)CCNC(=O)c1n[nH]c(CN2CCOCC2)c1-c1ccccc1F
InChIInChI=1S/C18H22FN5O3/c19-13-4-2-1-3-12(13)16-14(11-24-7-9-27-10-8-24)22-23-17(16)18(26)21-6-5-15(20)25/h1-4H,5-11H2,(H2,20,25)(H,21,26)(H,22,23)
InChIKeyHRWOZEUFRUVSTK-UHFFFAOYSA-N
XLogP0.65
TPSA113.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-fluoro-N-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]benzamide
CID 46993248
5-ethyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-4-nitro-1H-pyrazole-3-carboxamide
CID 138993303
N-(2-morpholin-4-ylethyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
CID 20953986
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 9143979
1-[2-(2-fluorophenyl)ethyl]-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 36873779
4-ethyl-5-(morpholin-4-ylmethyl)-1H-pyrazole-3-carboxylic acid
CID 177335577
N-ethyl-5-[5-(2-fluorophenyl)-2,4-dihydroxyphenyl]-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 135749946
6-(2-fluorophenyl)-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 42876582
4-[(2,6-difluorobenzoyl)amino]-N-(2-morpholin-4-ylethyl)-1H-pyrazole-5-carboxamide
CID 59733429
7-(2-fluorophenyl)-N-(2-morpholin-4-ylethyl)-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 42877286
N-(2-aminoethyl)-4-(morpholin-4-ylmethyl)benzamide
CID 84614014
N-[6-(2-fluorophenyl)-3-pyridinyl]-5-[3-(morpholin-4-ylmethyl)-4H-azepin-6-yl]-1H-indazole-3-carboxamide
CID 144555416

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-oxopropyl)-4-(2-fluorophenyl)-5-(morpholin-4-ylmethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(3-amino-3-oxopropyl)-4-(2-fluorophenyl)-5-(morpholin-4-ylmethyl)-1H-pyrazole-3-carboxamide (CID 171539147) is N-(3-amino-3-oxopropyl)-4-(2-fluorophenyl)-5-(morpholin-4-ylmethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(3-amino-3-oxopropyl)-4-(2-fluorophenyl)-5-(morpholin-4-ylmethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(3-amino-3-oxopropyl)-4-(2-fluorophenyl)-5-(morpholin-4-ylmethyl)-1H-pyrazole-3-carboxamide is NC(=O)CCNC(=O)c1n[nH]c(CN2CCOCC2)c1-c1ccccc1F.
What is the InChIKey of N-(3-amino-3-oxopropyl)-4-(2-fluorophenyl)-5-(morpholin-4-ylmethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is HRWOZEUFRUVSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN5O3/c19-13-4-2-1-3-12(13)16-14(11-24-7-9-27-10-8-24)22-23-17(16)18(26)21-6-5-15(20)25/h1-4H,5-11H2,(H2,20,25)(H,21,26)(H,22,23).
What are the key properties of N-(3-amino-3-oxopropyl)-4-(2-fluorophenyl)-5-(morpholin-4-ylmethyl)-1H-pyrazole-3-carboxamide?
N-(3-amino-3-oxopropyl)-4-(2-fluorophenyl)-5-(morpholin-4-ylmethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 375.40 g/mol, XLogP of 0.65, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-oxopropyl)-4-(2-fluorophenyl)-5-(morpholin-4-ylmethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 171539147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).