N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]morpholin-4-amine

C10H17ClN4O — CID 83021928

IUPACN-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]morpholin-4-amine
SMILESCc1nn(C)c(CNN2CCOCC2)c1Cl
InChIInChI=1S/C10H17ClN4O/c1-8-10(11)9(14(2)13-8)7-12-15-3-5-16-6-4-15/h12H,3-7H2,1-2H3
InChIKeyCQGZXGFHEJZJMR-UHFFFAOYSA-N
MW244.73 g/mol
LogP0.72
Rot. Bonds3

About N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]morpholin-4-amine

N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]morpholin-4-amine (PubChem CID 83021928) has the molecular formula C10H17ClN4O and a molecular weight of 244.73 g/mol. Its IUPAC name is N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]morpholin-4-amine.

Molecular Properties

Compound NameN-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]morpholin-4-amine
PubChem CID83021928
Molecular FormulaC10H17ClN4O
Molecular Weight244.73 g/mol
Exact Mass244.11
IUPAC NameN-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]morpholin-4-amine
SMILESCc1nn(C)c(CNN2CCOCC2)c1Cl
InChIInChI=1S/C10H17ClN4O/c1-8-10(11)9(14(2)13-8)7-12-15-3-5-16-6-4-15/h12H,3-7H2,1-2H3
InChIKeyCQGZXGFHEJZJMR-UHFFFAOYSA-N
XLogP0.72
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.73
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2,5-dimethylpyrrol-1-amine
CID 79100007
2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-1,1-dimethylhydrazine
CID 83014675
N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2,3,4,5,6-pentafluoroaniline
CID 115564330
N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]piperidin-1-amine
CID 83015012
1-[4-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]morpholin-3-yl]-N-methylmethanamine
CID 83099899
4-chloro-1,3-dimethyl-N-[(2R)-1-morpholin-4-ylpropan-2-yl]pyrazole-5-carboxamide
CID 28559619
1-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine
CID 113450199
4-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2-(chloromethyl)morpholine
CID 81209692
2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methylamino]-1-pyrrolidin-1-ylethanone
CID 113406034
N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]morpholin-4-amine
CID 83021388
(1R)-N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-1-thiophen-2-ylethanamine
CID 81408386
N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-1,3-dimethylpiperidin-4-amine
CID 114503529

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]morpholin-4-amine?
The IUPAC name of N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]morpholin-4-amine (CID 83021928) is N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]morpholin-4-amine.
What is the SMILES notation for N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]morpholin-4-amine?
The canonical SMILES for N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]morpholin-4-amine is Cc1nn(C)c(CNN2CCOCC2)c1Cl.
What is the InChIKey of N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]morpholin-4-amine?
The InChIKey is CQGZXGFHEJZJMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN4O/c1-8-10(11)9(14(2)13-8)7-12-15-3-5-16-6-4-15/h12H,3-7H2,1-2H3.
What are the key properties of N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]morpholin-4-amine?
N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]morpholin-4-amine has a molecular weight of 244.73 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]morpholin-4-amine is sourced from PubChem (CID 83021928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).