N,N-dimethyl-4-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]benzamide

C17H19N5O — CID 133489141

IUPACN,N-dimethyl-4-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]benzamide
SMILESCc1cc2c(NCc3ccc(C(=O)N(C)C)cc3)nccn2n1
InChIInChI=1S/C17H19N5O/c1-12-10-15-16(18-8-9-22(15)20-12)19-11-13-4-6-14(7-5-13)17(23)21(2)3/h4-10H,11H2,1-3H3,(H,18,19)
InChIKeyKFIJZJHEJVVQEP-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.35
Rot. Bonds4

About N,N-dimethyl-4-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]benzamide

N,N-dimethyl-4-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]benzamide (PubChem CID 133489141) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is N,N-dimethyl-4-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]benzamide
PubChem CID133489141
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC NameN,N-dimethyl-4-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]benzamide
SMILESCc1cc2c(NCc3ccc(C(=O)N(C)C)cc3)nccn2n1
InChIInChI=1S/C17H19N5O/c1-12-10-15-16(18-8-9-22(15)20-12)19-11-13-4-6-14(7-5-13)17(23)21(2)3/h4-10H,11H2,1-3H3,(H,18,19)
InChIKeyKFIJZJHEJVVQEP-UHFFFAOYSA-N
XLogP2.35
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]benzoic acid
CID 104729300
[4-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]phenyl]urea
CID 133489118
N-[[4-(chloromethyl)phenyl]methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-amine
CID 107233154
N-[[4-(methoxymethyl)phenyl]methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-amine
CID 133489559
4-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]benzonitrile
CID 104730788
5-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]furan-2-carboxylic acid
CID 104729690
2-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]acetic acid
CID 104729342
N-[(4-methylphenyl)methyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
CID 104730531
2-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrazolo[1,5-a]pyrazin-4-amine
CID 104731292
2-methyl-N-[(5-methylpyrazin-2-yl)methyl]pyrazolo[1,5-a]pyrazin-4-amine
CID 104731375
N-(2,2-dimethylpropyl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine
CID 104730931
N-[2-(4-chlorophenyl)ethyl]-2-methylpyrazolo[1,5-a]pyrazin-4-amine
CID 104731011

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]benzamide?
The IUPAC name of N,N-dimethyl-4-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]benzamide (CID 133489141) is N,N-dimethyl-4-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]benzamide.
What is the SMILES notation for N,N-dimethyl-4-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]benzamide?
The canonical SMILES for N,N-dimethyl-4-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]benzamide is Cc1cc2c(NCc3ccc(C(=O)N(C)C)cc3)nccn2n1.
What is the InChIKey of N,N-dimethyl-4-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]benzamide?
The InChIKey is KFIJZJHEJVVQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-12-10-15-16(18-8-9-22(15)20-12)19-11-13-4-6-14(7-5-13)17(23)21(2)3/h4-10H,11H2,1-3H3,(H,18,19).
What are the key properties of N,N-dimethyl-4-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]benzamide?
N,N-dimethyl-4-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]benzamide has a molecular weight of 309.37 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]benzamide is sourced from PubChem (CID 133489141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).