N,N-dimethyl-4H-chromeno[4,3-c]pyrazole-2-carboxamide

C13H13N3O2 — CID 175551901

IUPACN,N-dimethyl-4H-chromeno[4,3-c]pyrazole-2-carboxamide
SMILESCN(C)C(=O)n1cc2c(n1)-c1ccccc1OC2
InChIInChI=1S/C13H13N3O2/c1-15(2)13(17)16-7-9-8-18-11-6-4-3-5-10(11)12(9)14-16/h3-7H,8H2,1-2H3
InChIKeyVFJACYWXHLOBGE-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.97
Rot. Bonds

About N,N-dimethyl-4H-chromeno[4,3-c]pyrazole-2-carboxamide

N,N-dimethyl-4H-chromeno[4,3-c]pyrazole-2-carboxamide (PubChem CID 175551901) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is N,N-dimethyl-4H-chromeno[4,3-c]pyrazole-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-4H-chromeno[4,3-c]pyrazole-2-carboxamide
PubChem CID175551901
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC NameN,N-dimethyl-4H-chromeno[4,3-c]pyrazole-2-carboxamide
SMILESCN(C)C(=O)n1cc2c(n1)-c1ccccc1OC2
InChIInChI=1S/C13H13N3O2/c1-15(2)13(17)16-7-9-8-18-11-6-4-3-5-10(11)12(9)14-16/h3-7H,8H2,1-2H3
InChIKeyVFJACYWXHLOBGE-UHFFFAOYSA-N
XLogP1.97
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4H-chromeno[4,3-c]pyrazole-2-carboxamide?
The IUPAC name of N,N-dimethyl-4H-chromeno[4,3-c]pyrazole-2-carboxamide (CID 175551901) is N,N-dimethyl-4H-chromeno[4,3-c]pyrazole-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-4H-chromeno[4,3-c]pyrazole-2-carboxamide?
The canonical SMILES for N,N-dimethyl-4H-chromeno[4,3-c]pyrazole-2-carboxamide is CN(C)C(=O)n1cc2c(n1)-c1ccccc1OC2.
What is the InChIKey of N,N-dimethyl-4H-chromeno[4,3-c]pyrazole-2-carboxamide?
The InChIKey is VFJACYWXHLOBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-15(2)13(17)16-7-9-8-18-11-6-4-3-5-10(11)12(9)14-16/h3-7H,8H2,1-2H3.
What are the key properties of N,N-dimethyl-4H-chromeno[4,3-c]pyrazole-2-carboxamide?
N,N-dimethyl-4H-chromeno[4,3-c]pyrazole-2-carboxamide has a molecular weight of 243.27 g/mol, XLogP of 1.97, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4H-chromeno[4,3-c]pyrazole-2-carboxamide is sourced from PubChem (CID 175551901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).