N-(2-methyl-4H-chromeno[4,3-c]pyrazol-3-yl)formamide

C12H11N3O2 — CID 134315634

IUPACN-(2-methyl-4H-chromeno[4,3-c]pyrazol-3-yl)formamide
SMILESCn1nc2c(c1NC=O)COc1ccccc1-2
InChIInChI=1S/C12H11N3O2/c1-15-12(13-7-16)9-6-17-10-5-3-2-4-8(10)11(9)14-15/h2-5,7H,6H2,1H3,(H,13,16)
InChIKeyFZFRLMBAGVNZFG-UHFFFAOYSA-N
MW229.24 g/mol
LogP1.55
Rot. Bonds2

About N-(2-methyl-4H-chromeno[4,3-c]pyrazol-3-yl)formamide

N-(2-methyl-4H-chromeno[4,3-c]pyrazol-3-yl)formamide (PubChem CID 134315634) has the molecular formula C12H11N3O2 and a molecular weight of 229.24 g/mol. Its IUPAC name is N-(2-methyl-4H-chromeno[4,3-c]pyrazol-3-yl)formamide.

Molecular Properties

Compound NameN-(2-methyl-4H-chromeno[4,3-c]pyrazol-3-yl)formamide
PubChem CID134315634
Molecular FormulaC12H11N3O2
Molecular Weight229.24 g/mol
Exact Mass229.09
IUPAC NameN-(2-methyl-4H-chromeno[4,3-c]pyrazol-3-yl)formamide
SMILESCn1nc2c(c1NC=O)COc1ccccc1-2
InChIInChI=1S/C12H11N3O2/c1-15-12(13-7-16)9-6-17-10-5-3-2-4-8(10)11(9)14-15/h2-5,7H,6H2,1H3,(H,13,16)
InChIKeyFZFRLMBAGVNZFG-UHFFFAOYSA-N
XLogP1.55
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methyl-4,5-dihydro-[1]benzoxepino[5,4-c]pyrazol-3-yl)ethanone
CID 171093600
N,1-dimethyl-N-propyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
CID 53015641
N-(2-cyanoethyl)-N,1-dimethyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
CID 6623754
N-(4H-thieno[3,2-c]chromen-2-yl)formamide
CID 54088902
N-ethyl-N-(2-ethylphenyl)-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
CID 22516984
2,4-bis(furan-2-yl)-5H-chromeno[4,3-b]pyridine
CID 53361435
N-(2,3-dimethylcyclohexyl)-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
CID 22516824
3-methyl-4H-[1]benzoxepino[4,3-d]pyrazol-10-one
CID 13285472
1-methyl-N-(2-thiophen-3-ylethyl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide
CID 22517004
N,N-dimethyl-4H-chromeno[4,3-c]pyrazole-2-carboxamide
CID 175551901
1-benzofuran-3-one;ethane
CID 90876800
N-(2,4-dimethoxyphenyl)-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
CID 22516804

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-4H-chromeno[4,3-c]pyrazol-3-yl)formamide?
The IUPAC name of N-(2-methyl-4H-chromeno[4,3-c]pyrazol-3-yl)formamide (CID 134315634) is N-(2-methyl-4H-chromeno[4,3-c]pyrazol-3-yl)formamide.
What is the SMILES notation for N-(2-methyl-4H-chromeno[4,3-c]pyrazol-3-yl)formamide?
The canonical SMILES for N-(2-methyl-4H-chromeno[4,3-c]pyrazol-3-yl)formamide is Cn1nc2c(c1NC=O)COc1ccccc1-2.
What is the InChIKey of N-(2-methyl-4H-chromeno[4,3-c]pyrazol-3-yl)formamide?
The InChIKey is FZFRLMBAGVNZFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2/c1-15-12(13-7-16)9-6-17-10-5-3-2-4-8(10)11(9)14-15/h2-5,7H,6H2,1H3,(H,13,16).
What are the key properties of N-(2-methyl-4H-chromeno[4,3-c]pyrazol-3-yl)formamide?
N-(2-methyl-4H-chromeno[4,3-c]pyrazol-3-yl)formamide has a molecular weight of 229.24 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4H-chromeno[4,3-c]pyrazol-3-yl)formamide is sourced from PubChem (CID 134315634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).