N,N-dimethyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-4-amine

C9H13N5O — CID 170247468

IUPACN,N-dimethyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-4-amine
SMILESCc1noc(Cn2cc(N(C)C)cn2)n1
InChIInChI=1S/C9H13N5O/c1-7-11-9(15-12-7)6-14-5-8(4-10-14)13(2)3/h4-5H,6H2,1-3H3
InChIKeyDVHUEBOHMABXFQ-UHFFFAOYSA-N
MW207.24 g/mol
LogP0.69
Rot. Bonds3

About N,N-dimethyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-4-amine

N,N-dimethyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-4-amine (PubChem CID 170247468) has the molecular formula C9H13N5O and a molecular weight of 207.24 g/mol. Its IUPAC name is N,N-dimethyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-4-amine
PubChem CID170247468
Molecular FormulaC9H13N5O
Molecular Weight207.24 g/mol
Exact Mass207.11
IUPAC NameN,N-dimethyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-4-amine
SMILESCc1noc(Cn2cc(N(C)C)cn2)n1
InChIInChI=1S/C9H13N5O/c1-7-11-9(15-12-7)6-14-5-8(4-10-14)13(2)3/h4-5H,6H2,1-3H3
InChIKeyDVHUEBOHMABXFQ-UHFFFAOYSA-N
XLogP0.69
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-4-amine?
The IUPAC name of N,N-dimethyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-4-amine (CID 170247468) is N,N-dimethyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-4-amine.
What is the SMILES notation for N,N-dimethyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-4-amine?
The canonical SMILES for N,N-dimethyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-4-amine is Cc1noc(Cn2cc(N(C)C)cn2)n1.
What is the InChIKey of N,N-dimethyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-4-amine?
The InChIKey is DVHUEBOHMABXFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O/c1-7-11-9(15-12-7)6-14-5-8(4-10-14)13(2)3/h4-5H,6H2,1-3H3.
What are the key properties of N,N-dimethyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-4-amine?
N,N-dimethyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-4-amine has a molecular weight of 207.24 g/mol, XLogP of 0.69, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-4-amine is sourced from PubChem (CID 170247468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).