N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]morpholine-3-carboxamide

C17H22N4O2 — CID 119691735

IUPACN-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]morpholine-3-carboxamide
SMILESCc1nn(-c2ccccc2)c(C)c1CNC(=O)C1COCCN1
InChIInChI=1S/C17H22N4O2/c1-12-15(10-19-17(22)16-11-23-9-8-18-16)13(2)21(20-12)14-6-4-3-5-7-14/h3-7,16,18H,8-11H2,1-2H3,(H,19,22)
InChIKeyMUBATLQDXFZMKI-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.09
Rot. Bonds4

About N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]morpholine-3-carboxamide

N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]morpholine-3-carboxamide (PubChem CID 119691735) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]morpholine-3-carboxamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]morpholine-3-carboxamide
PubChem CID119691735
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC NameN-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]morpholine-3-carboxamide
SMILESCc1nn(-c2ccccc2)c(C)c1CNC(=O)C1COCCN1
InChIInChI=1S/C17H22N4O2/c1-12-15(10-19-17(22)16-11-23-9-8-18-16)13(2)21(20-12)14-6-4-3-5-7-14/h3-7,16,18H,8-11H2,1-2H3,(H,19,22)
InChIKeyMUBATLQDXFZMKI-UHFFFAOYSA-N
XLogP1.09
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[(morpholine-3-carbonylamino)methyl]phenyl]acetic acid
CID 81317493
1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 99699804
2-amino-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(oxan-4-yl)acetamide
CID 120784550
(2S,4S)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-methoxy-1-methylpyrrolidine-2-carboxamide
CID 128975644
(3R,4S)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120919686
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-1-hydroxycyclopentane-1-carboxamide
CID 110907001
N-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethyl]cyclobutanecarboxamide
CID 110717356
N-[(2-methoxynaphthalen-1-yl)methyl]morpholine-3-carboxamide;hydrochloride
CID 119709351
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]acetamide
CID 119691759
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119691733
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-methoxypropanamide
CID 35760836
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120618533

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]morpholine-3-carboxamide?
The IUPAC name of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]morpholine-3-carboxamide (CID 119691735) is N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]morpholine-3-carboxamide.
What is the SMILES notation for N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]morpholine-3-carboxamide?
The canonical SMILES for N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]morpholine-3-carboxamide is Cc1nn(-c2ccccc2)c(C)c1CNC(=O)C1COCCN1.
What is the InChIKey of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]morpholine-3-carboxamide?
The InChIKey is MUBATLQDXFZMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-12-15(10-19-17(22)16-11-23-9-8-18-16)13(2)21(20-12)14-6-4-3-5-7-14/h3-7,16,18H,8-11H2,1-2H3,(H,19,22).
What are the key properties of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]morpholine-3-carboxamide?
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]morpholine-3-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]morpholine-3-carboxamide is sourced from PubChem (CID 119691735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).