1-methyl-N-[5-(oxolan-2-yl)-1H-pyrazol-3-yl]pyrazole-3-carboxamide

C12H15N5O2 — CID 170287229

IUPAC1-methyl-N-[5-(oxolan-2-yl)-1H-pyrazol-3-yl]pyrazole-3-carboxamide
SMILESCn1ccc(C(=O)Nc2cc(C3CCCO3)[nH]n2)n1
InChIInChI=1S/C12H15N5O2/c1-17-5-4-8(16-17)12(18)13-11-7-9(14-15-11)10-3-2-6-19-10/h4-5,7,10H,2-3,6H2,1H3,(H2,13,14,15,18)
InChIKeyQRGDWLMXZVTAFI-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.25
Rot. Bonds3

About 1-methyl-N-[5-(oxolan-2-yl)-1H-pyrazol-3-yl]pyrazole-3-carboxamide

1-methyl-N-[5-(oxolan-2-yl)-1H-pyrazol-3-yl]pyrazole-3-carboxamide (PubChem CID 170287229) has the molecular formula C12H15N5O2 and a molecular weight of 261.28 g/mol. Its IUPAC name is 1-methyl-N-[5-(oxolan-2-yl)-1H-pyrazol-3-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[5-(oxolan-2-yl)-1H-pyrazol-3-yl]pyrazole-3-carboxamide
PubChem CID170287229
Molecular FormulaC12H15N5O2
Molecular Weight261.28 g/mol
Exact Mass261.12
IUPAC Name1-methyl-N-[5-(oxolan-2-yl)-1H-pyrazol-3-yl]pyrazole-3-carboxamide
SMILESCn1ccc(C(=O)Nc2cc(C3CCCO3)[nH]n2)n1
InChIInChI=1S/C12H15N5O2/c1-17-5-4-8(16-17)12(18)13-11-7-9(14-15-11)10-3-2-6-19-10/h4-5,7,10H,2-3,6H2,1H3,(H2,13,14,15,18)
InChIKeyQRGDWLMXZVTAFI-UHFFFAOYSA-N
XLogP1.25
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[5-(oxolan-2-yl)-1H-pyrazol-3-yl]pyrazole-3-carboxamide?
The IUPAC name of 1-methyl-N-[5-(oxolan-2-yl)-1H-pyrazol-3-yl]pyrazole-3-carboxamide (CID 170287229) is 1-methyl-N-[5-(oxolan-2-yl)-1H-pyrazol-3-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[5-(oxolan-2-yl)-1H-pyrazol-3-yl]pyrazole-3-carboxamide?
The canonical SMILES for 1-methyl-N-[5-(oxolan-2-yl)-1H-pyrazol-3-yl]pyrazole-3-carboxamide is Cn1ccc(C(=O)Nc2cc(C3CCCO3)[nH]n2)n1.
What is the InChIKey of 1-methyl-N-[5-(oxolan-2-yl)-1H-pyrazol-3-yl]pyrazole-3-carboxamide?
The InChIKey is QRGDWLMXZVTAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-17-5-4-8(16-17)12(18)13-11-7-9(14-15-11)10-3-2-6-19-10/h4-5,7,10H,2-3,6H2,1H3,(H2,13,14,15,18).
What are the key properties of 1-methyl-N-[5-(oxolan-2-yl)-1H-pyrazol-3-yl]pyrazole-3-carboxamide?
1-methyl-N-[5-(oxolan-2-yl)-1H-pyrazol-3-yl]pyrazole-3-carboxamide has a molecular weight of 261.28 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[5-(oxolan-2-yl)-1H-pyrazol-3-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 170287229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).