N-(3-cyclopropyl-1-methylpyrazol-4-yl)-3-methoxy-1-methylpyrazole-4-carboxamide

C13H17N5O2 — CID 167856488

IUPACN-(3-cyclopropyl-1-methylpyrazol-4-yl)-3-methoxy-1-methylpyrazole-4-carboxamide
SMILESCOc1nn(C)cc1C(=O)Nc1cn(C)nc1C1CC1
InChIInChI=1S/C13H17N5O2/c1-17-6-9(13(16-17)20-3)12(19)14-10-7-18(2)15-11(10)8-4-5-8/h6-8H,4-5H2,1-3H3,(H,14,19)
InChIKeyMEFHIGGZKSUNDR-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.29
Rot. Bonds4

About N-(3-cyclopropyl-1-methylpyrazol-4-yl)-3-methoxy-1-methylpyrazole-4-carboxamide

N-(3-cyclopropyl-1-methylpyrazol-4-yl)-3-methoxy-1-methylpyrazole-4-carboxamide (PubChem CID 167856488) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-(3-cyclopropyl-1-methylpyrazol-4-yl)-3-methoxy-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-cyclopropyl-1-methylpyrazol-4-yl)-3-methoxy-1-methylpyrazole-4-carboxamide
PubChem CID167856488
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC NameN-(3-cyclopropyl-1-methylpyrazol-4-yl)-3-methoxy-1-methylpyrazole-4-carboxamide
SMILESCOc1nn(C)cc1C(=O)Nc1cn(C)nc1C1CC1
InChIInChI=1S/C13H17N5O2/c1-17-6-9(13(16-17)20-3)12(19)14-10-7-18(2)15-11(10)8-4-5-8/h6-8H,4-5H2,1-3H3,(H,14,19)
InChIKeyMEFHIGGZKSUNDR-UHFFFAOYSA-N
XLogP1.29
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopropyl-1-methylpyrazol-4-yl)-3-methoxy-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-(3-cyclopropyl-1-methylpyrazol-4-yl)-3-methoxy-1-methylpyrazole-4-carboxamide (CID 167856488) is N-(3-cyclopropyl-1-methylpyrazol-4-yl)-3-methoxy-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-(3-cyclopropyl-1-methylpyrazol-4-yl)-3-methoxy-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-(3-cyclopropyl-1-methylpyrazol-4-yl)-3-methoxy-1-methylpyrazole-4-carboxamide is COc1nn(C)cc1C(=O)Nc1cn(C)nc1C1CC1.
What is the InChIKey of N-(3-cyclopropyl-1-methylpyrazol-4-yl)-3-methoxy-1-methylpyrazole-4-carboxamide?
The InChIKey is MEFHIGGZKSUNDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-17-6-9(13(16-17)20-3)12(19)14-10-7-18(2)15-11(10)8-4-5-8/h6-8H,4-5H2,1-3H3,(H,14,19).
What are the key properties of N-(3-cyclopropyl-1-methylpyrazol-4-yl)-3-methoxy-1-methylpyrazole-4-carboxamide?
N-(3-cyclopropyl-1-methylpyrazol-4-yl)-3-methoxy-1-methylpyrazole-4-carboxamide has a molecular weight of 275.31 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopropyl-1-methylpyrazol-4-yl)-3-methoxy-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 167856488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).