N,1-dimethyl-N-prop-2-enyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide

C16H17N3O2 — CID 53015640

IUPACN,1-dimethyl-N-prop-2-enyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
SMILESC=CCN(C)C(=O)c1nn(C)c2c1COc1ccccc1-2
InChIInChI=1S/C16H17N3O2/c1-4-9-18(2)16(20)14-12-10-21-13-8-6-5-7-11(13)15(12)19(3)17-14/h4-8H,1,9-10H2,2-3H3
InChIKeyCRIVQADMTFWVRF-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.24
Rot. Bonds3

About N,1-dimethyl-N-prop-2-enyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide

N,1-dimethyl-N-prop-2-enyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide (PubChem CID 53015640) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is N,1-dimethyl-N-prop-2-enyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN,1-dimethyl-N-prop-2-enyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
PubChem CID53015640
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC NameN,1-dimethyl-N-prop-2-enyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
SMILESC=CCN(C)C(=O)c1nn(C)c2c1COc1ccccc1-2
InChIInChI=1S/C16H17N3O2/c1-4-9-18(2)16(20)14-12-10-21-13-8-6-5-7-11(13)15(12)19(3)17-14/h4-8H,1,9-10H2,2-3H3
InChIKeyCRIVQADMTFWVRF-UHFFFAOYSA-N
XLogP2.24
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-prop-2-enyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide?
The IUPAC name of N,1-dimethyl-N-prop-2-enyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide (CID 53015640) is N,1-dimethyl-N-prop-2-enyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide.
What is the SMILES notation for N,1-dimethyl-N-prop-2-enyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide?
The canonical SMILES for N,1-dimethyl-N-prop-2-enyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide is C=CCN(C)C(=O)c1nn(C)c2c1COc1ccccc1-2.
What is the InChIKey of N,1-dimethyl-N-prop-2-enyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide?
The InChIKey is CRIVQADMTFWVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-4-9-18(2)16(20)14-12-10-21-13-8-6-5-7-11(13)15(12)19(3)17-14/h4-8H,1,9-10H2,2-3H3.
What are the key properties of N,1-dimethyl-N-prop-2-enyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide?
N,1-dimethyl-N-prop-2-enyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide has a molecular weight of 283.33 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-prop-2-enyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide is sourced from PubChem (CID 53015640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).