N-(1,2,4-oxadiazol-3-ylmethyl)-1-(1-propan-2-ylpyrazol-4-yl)methanamine

C10H15N5O — CID 106393002

IUPACN-(1,2,4-oxadiazol-3-ylmethyl)-1-(1-propan-2-ylpyrazol-4-yl)methanamine
SMILESCC(C)n1cc(CNCc2ncon2)cn1
InChIInChI=1S/C10H15N5O/c1-8(2)15-6-9(4-13-15)3-11-5-10-12-7-16-14-10/h4,6-8,11H,3,5H2,1-2H3
InChIKeyBKEDJNPBCYABHI-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.14
Rot. Bonds5

About N-(1,2,4-oxadiazol-3-ylmethyl)-1-(1-propan-2-ylpyrazol-4-yl)methanamine

N-(1,2,4-oxadiazol-3-ylmethyl)-1-(1-propan-2-ylpyrazol-4-yl)methanamine (PubChem CID 106393002) has the molecular formula C10H15N5O and a molecular weight of 221.26 g/mol. Its IUPAC name is N-(1,2,4-oxadiazol-3-ylmethyl)-1-(1-propan-2-ylpyrazol-4-yl)methanamine.

Molecular Properties

Compound NameN-(1,2,4-oxadiazol-3-ylmethyl)-1-(1-propan-2-ylpyrazol-4-yl)methanamine
PubChem CID106393002
Molecular FormulaC10H15N5O
Molecular Weight221.26 g/mol
Exact Mass221.13
IUPAC NameN-(1,2,4-oxadiazol-3-ylmethyl)-1-(1-propan-2-ylpyrazol-4-yl)methanamine
SMILESCC(C)n1cc(CNCc2ncon2)cn1
InChIInChI=1S/C10H15N5O/c1-8(2)15-6-9(4-13-15)3-11-5-10-12-7-16-14-10/h4,6-8,11H,3,5H2,1-2H3
InChIKeyBKEDJNPBCYABHI-UHFFFAOYSA-N
XLogP1.14
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine
CID 61270975
N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-(1-propan-2-ylpyrazol-4-yl)methanamine
CID 103700717
2-[(1-propan-2-ylpyrazol-4-yl)methylamino]ethanol;hydrochloride
CID 126967018
N-[(1-propan-2-ylpyrazol-4-yl)methyl]propan-2-amine
CID 61270976
2-methyl-1-[(1-propan-2-ylpyrazol-4-yl)methylamino]propan-2-ol
CID 115623040
N-[(1-propan-2-ylpyrazol-4-yl)methyl]butan-1-amine;hydrochloride
CID 126967036
N-[(1-methylcyclopropyl)methyl]-1-(1-propan-2-ylpyrazol-4-yl)methanamine
CID 103724276
2-cyclopropyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine
CID 115623017
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(1-propan-2-ylpyrazol-4-yl)methanamine
CID 114075506
N-[(3-methyloxetan-3-yl)methyl]-1-(1-propan-2-ylpyrazol-4-yl)methanamine
CID 115624288
2-methylsulfonyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]ethanamine
CID 115623018
N-[(1-propan-2-ylpyrazol-4-yl)methyl]heptan-1-amine;hydrochloride
CID 126967235

Frequently Asked Questions

What is the IUPAC name of N-(1,2,4-oxadiazol-3-ylmethyl)-1-(1-propan-2-ylpyrazol-4-yl)methanamine?
The IUPAC name of N-(1,2,4-oxadiazol-3-ylmethyl)-1-(1-propan-2-ylpyrazol-4-yl)methanamine (CID 106393002) is N-(1,2,4-oxadiazol-3-ylmethyl)-1-(1-propan-2-ylpyrazol-4-yl)methanamine.
What is the SMILES notation for N-(1,2,4-oxadiazol-3-ylmethyl)-1-(1-propan-2-ylpyrazol-4-yl)methanamine?
The canonical SMILES for N-(1,2,4-oxadiazol-3-ylmethyl)-1-(1-propan-2-ylpyrazol-4-yl)methanamine is CC(C)n1cc(CNCc2ncon2)cn1.
What is the InChIKey of N-(1,2,4-oxadiazol-3-ylmethyl)-1-(1-propan-2-ylpyrazol-4-yl)methanamine?
The InChIKey is BKEDJNPBCYABHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O/c1-8(2)15-6-9(4-13-15)3-11-5-10-12-7-16-14-10/h4,6-8,11H,3,5H2,1-2H3.
What are the key properties of N-(1,2,4-oxadiazol-3-ylmethyl)-1-(1-propan-2-ylpyrazol-4-yl)methanamine?
N-(1,2,4-oxadiazol-3-ylmethyl)-1-(1-propan-2-ylpyrazol-4-yl)methanamine has a molecular weight of 221.26 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,4-oxadiazol-3-ylmethyl)-1-(1-propan-2-ylpyrazol-4-yl)methanamine is sourced from PubChem (CID 106393002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).