N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-morpholin-4-ylaniline

C16H22N4O — CID 43644963

IUPACN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-morpholin-4-ylaniline
SMILESCc1n[nH]c(C)c1CNc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C16H22N4O/c1-12-16(13(2)19-18-12)11-17-14-3-5-15(6-4-14)20-7-9-21-10-8-20/h3-6,17H,7-11H2,1-2H3,(H,18,19)
InChIKeyWCOGXJBJRVVNCL-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.48
Rot. Bonds4

About N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-morpholin-4-ylaniline

N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-morpholin-4-ylaniline (PubChem CID 43644963) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-morpholin-4-ylaniline.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-morpholin-4-ylaniline
PubChem CID43644963
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-morpholin-4-ylaniline
SMILESCc1n[nH]c(C)c1CNc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C16H22N4O/c1-12-16(13(2)19-18-12)11-17-14-3-5-15(6-4-14)20-7-9-21-10-8-20/h3-6,17H,7-11H2,1-2H3,(H,18,19)
InChIKeyWCOGXJBJRVVNCL-UHFFFAOYSA-N
XLogP2.48
TPSA53.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]phenyl]pyrrolidin-2-one
CID 43679653
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-morpholin-4-ylaniline
CID 65439905
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(trifluoromethyl)aniline
CID 43644801
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-amine
CID 43644780
N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-4-morpholin-4-ylaniline
CID 63172359
4-morpholin-4-yl-N-(pyrimidin-2-ylmethyl)aniline
CID 63180269
N-(2,2-dimethylpropyl)-4-morpholin-4-ylaniline
CID 20785895
N-[(1-methylimidazol-2-yl)methyl]-4-morpholin-4-ylaniline
CID 60685164
4-morpholin-4-yl-N-(1,3-thiazol-4-ylmethyl)aniline
CID 60685189
3,5-dimethyl-N-[(4-piperidin-1-ylphenyl)methyl]-1H-pyrazol-4-amine
CID 43547187
N-butyl-4-morpholin-4-ylaniline
CID 28675754
3,5-dimethyl-N-[2-(4-morpholin-4-ylphenyl)ethyl]-1H-pyrazole-4-sulfonamide
CID 110405040

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-morpholin-4-ylaniline?
The IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-morpholin-4-ylaniline (CID 43644963) is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-morpholin-4-ylaniline.
What is the SMILES notation for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-morpholin-4-ylaniline?
The canonical SMILES for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-morpholin-4-ylaniline is Cc1n[nH]c(C)c1CNc1ccc(N2CCOCC2)cc1.
What is the InChIKey of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-morpholin-4-ylaniline?
The InChIKey is WCOGXJBJRVVNCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-12-16(13(2)19-18-12)11-17-14-3-5-15(6-4-14)20-7-9-21-10-8-20/h3-6,17H,7-11H2,1-2H3,(H,18,19).
What are the key properties of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-morpholin-4-ylaniline?
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-morpholin-4-ylaniline has a molecular weight of 286.38 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-morpholin-4-ylaniline is sourced from PubChem (CID 43644963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).