5-cyclopropyl-4-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrazole-3-carboximidamide;hydrochloride

C12H17ClN6O — CID 130404047

IUPAC5-cyclopropyl-4-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrazole-3-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1nn(Cc2nnc(C)o2)c(C2CC2)c1C
InChIInChI=1S/C12H16N6O.ClH/c1-6-10(12(13)14)17-18(11(6)8-3-4-8)5-9-16-15-7(2)19-9;/h8H,3-5H2,1-2H3,(H3,13,14);1H
InChIKeySHECULMIICIPSM-UHFFFAOYSA-N
MW296.76 g/mol
LogP1.51
Rot. Bonds4

About 5-cyclopropyl-4-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrazole-3-carboximidamide;hydrochloride

5-cyclopropyl-4-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrazole-3-carboximidamide;hydrochloride (PubChem CID 130404047) has the molecular formula C12H17ClN6O and a molecular weight of 296.76 g/mol. Its IUPAC name is 5-cyclopropyl-4-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrazole-3-carboximidamide;hydrochloride.

Molecular Properties

Compound Name5-cyclopropyl-4-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrazole-3-carboximidamide;hydrochloride
PubChem CID130404047
Molecular FormulaC12H17ClN6O
Molecular Weight296.76 g/mol
Exact Mass296.12
IUPAC Name5-cyclopropyl-4-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrazole-3-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1nn(Cc2nnc(C)o2)c(C2CC2)c1C
InChIInChI=1S/C12H16N6O.ClH/c1-6-10(12(13)14)17-18(11(6)8-3-4-8)5-9-16-15-7(2)19-9;/h8H,3-5H2,1-2H3,(H3,13,14);1H
InChIKeySHECULMIICIPSM-UHFFFAOYSA-N
XLogP1.51
TPSA106.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.76
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

5-Cyclopropyl-4-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrazole-3-carboximidamide
CID 117792353
[1-[(5-Ethyl-1,3,4-oxadiazol-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]methanamine
CID 43647573
[3,5-Dimethyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrazol-4-yl]methanamine
CID 43647574
1-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine
CID 43647706
1-[3,5-dimethyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrazol-4-yl]-N-methylmethanamine
CID 43647707
N-[[3,5-dimethyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrazol-4-yl]methyl]ethanamine
CID 43647820
N-[[3,5-dimethyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrazol-4-yl]methyl]propan-1-amine
CID 43647918
N-[[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]cyclopropanamine
CID 43648108
N-[[3,5-dimethyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrazol-4-yl]methyl]cyclopropanamine
CID 43648109
N-[[3,5-dimethyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 66400688
N-[[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 66403036
2-Propan-2-yl-5-[[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole
CID 72043876

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-4-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrazole-3-carboximidamide;hydrochloride?
The IUPAC name of 5-cyclopropyl-4-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrazole-3-carboximidamide;hydrochloride (CID 130404047) is 5-cyclopropyl-4-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrazole-3-carboximidamide;hydrochloride.
What is the SMILES notation for 5-cyclopropyl-4-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrazole-3-carboximidamide;hydrochloride?
The canonical SMILES for 5-cyclopropyl-4-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrazole-3-carboximidamide;hydrochloride is Cl.[H]/N=C(\N)c1nn(Cc2nnc(C)o2)c(C2CC2)c1C.
What is the InChIKey of 5-cyclopropyl-4-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrazole-3-carboximidamide;hydrochloride?
The InChIKey is SHECULMIICIPSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O.ClH/c1-6-10(12(13)14)17-18(11(6)8-3-4-8)5-9-16-15-7(2)19-9;/h8H,3-5H2,1-2H3,(H3,13,14);1H.
What are the key properties of 5-cyclopropyl-4-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrazole-3-carboximidamide;hydrochloride?
5-cyclopropyl-4-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrazole-3-carboximidamide;hydrochloride has a molecular weight of 296.76 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-4-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrazole-3-carboximidamide;hydrochloride is sourced from PubChem (CID 130404047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).