N-[5-(1-methylimidazol-2-yl)-1H-pyrazol-3-yl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide

C16H15N5O — CID 166230189

IUPACN-[5-(1-methylimidazol-2-yl)-1H-pyrazol-3-yl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
SMILESCn1ccnc1-c1cc(NC(=O)C2Cc3ccccc32)n[nH]1
InChIInChI=1S/C16H15N5O/c1-21-7-6-17-15(21)13-9-14(20-19-13)18-16(22)12-8-10-4-2-3-5-11(10)12/h2-7,9,12H,8H2,1H3,(H2,18,19,20,22)
InChIKeyMKSUIQBSVCQGMB-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.09
Rot. Bonds3

About N-[5-(1-methylimidazol-2-yl)-1H-pyrazol-3-yl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide

N-[5-(1-methylimidazol-2-yl)-1H-pyrazol-3-yl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide (PubChem CID 166230189) has the molecular formula C16H15N5O and a molecular weight of 293.33 g/mol. Its IUPAC name is N-[5-(1-methylimidazol-2-yl)-1H-pyrazol-3-yl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide.

Molecular Properties

Compound NameN-[5-(1-methylimidazol-2-yl)-1H-pyrazol-3-yl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
PubChem CID166230189
Molecular FormulaC16H15N5O
Molecular Weight293.33 g/mol
Exact Mass293.13
IUPAC NameN-[5-(1-methylimidazol-2-yl)-1H-pyrazol-3-yl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
SMILESCn1ccnc1-c1cc(NC(=O)C2Cc3ccccc32)n[nH]1
InChIInChI=1S/C16H15N5O/c1-21-7-6-17-15(21)13-9-14(20-19-13)18-16(22)12-8-10-4-2-3-5-11(10)12/h2-7,9,12H,8H2,1H3,(H2,18,19,20,22)
InChIKeyMKSUIQBSVCQGMB-UHFFFAOYSA-N
XLogP2.09
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(1-methylimidazol-2-yl)-1H-pyrazol-3-yl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide?
The IUPAC name of N-[5-(1-methylimidazol-2-yl)-1H-pyrazol-3-yl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide (CID 166230189) is N-[5-(1-methylimidazol-2-yl)-1H-pyrazol-3-yl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide.
What is the SMILES notation for N-[5-(1-methylimidazol-2-yl)-1H-pyrazol-3-yl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide?
The canonical SMILES for N-[5-(1-methylimidazol-2-yl)-1H-pyrazol-3-yl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide is Cn1ccnc1-c1cc(NC(=O)C2Cc3ccccc32)n[nH]1.
What is the InChIKey of N-[5-(1-methylimidazol-2-yl)-1H-pyrazol-3-yl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide?
The InChIKey is MKSUIQBSVCQGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O/c1-21-7-6-17-15(21)13-9-14(20-19-13)18-16(22)12-8-10-4-2-3-5-11(10)12/h2-7,9,12H,8H2,1H3,(H2,18,19,20,22).
What are the key properties of N-[5-(1-methylimidazol-2-yl)-1H-pyrazol-3-yl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide?
N-[5-(1-methylimidazol-2-yl)-1H-pyrazol-3-yl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide has a molecular weight of 293.33 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1-methylimidazol-2-yl)-1H-pyrazol-3-yl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide is sourced from PubChem (CID 166230189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).