3-amino-N-[1-(4-chloro-7-phenyl-1H-indazol-6-yl)ethyl]-1-methyl-5-(prop-2-enylamino)pyrazole-4-carboxamide

C23H24ClN7O — CID 145307682

IUPAC3-amino-N-[1-(4-chloro-7-phenyl-1H-indazol-6-yl)ethyl]-1-methyl-5-(prop-2-enylamino)pyrazole-4-carboxamide
SMILESC=CCNc1c(C(=O)NC(C)c2cc(Cl)c3cn[nH]c3c2-c2ccccc2)c(N)nn1C
InChIInChI=1S/C23H24ClN7O/c1-4-10-26-22-19(21(25)30-31(22)3)23(32)28-13(2)15-11-17(24)16-12-27-29-20(16)18(15)14-8-6-5-7-9-14/h4-9,11-13,26H,1,10H2,2-3H3,(H2,25,30)(H,27,29)(H,28,32)
InChIKeyMIWZLDJZICAUFK-UHFFFAOYSA-N
MW449.95 g/mol
LogP4.29
Rot. Bonds7

About 3-amino-N-[1-(4-chloro-7-phenyl-1H-indazol-6-yl)ethyl]-1-methyl-5-(prop-2-enylamino)pyrazole-4-carboxamide

3-amino-N-[1-(4-chloro-7-phenyl-1H-indazol-6-yl)ethyl]-1-methyl-5-(prop-2-enylamino)pyrazole-4-carboxamide (PubChem CID 145307682) has the molecular formula C23H24ClN7O and a molecular weight of 449.95 g/mol. Its IUPAC name is 3-amino-N-[1-(4-chloro-7-phenyl-1H-indazol-6-yl)ethyl]-1-methyl-5-(prop-2-enylamino)pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-N-[1-(4-chloro-7-phenyl-1H-indazol-6-yl)ethyl]-1-methyl-5-(prop-2-enylamino)pyrazole-4-carboxamide
PubChem CID145307682
Molecular FormulaC23H24ClN7O
Molecular Weight449.95 g/mol
Exact Mass449.17
IUPAC Name3-amino-N-[1-(4-chloro-7-phenyl-1H-indazol-6-yl)ethyl]-1-methyl-5-(prop-2-enylamino)pyrazole-4-carboxamide
SMILESC=CCNc1c(C(=O)NC(C)c2cc(Cl)c3cn[nH]c3c2-c2ccccc2)c(N)nn1C
InChIInChI=1S/C23H24ClN7O/c1-4-10-26-22-19(21(25)30-31(22)3)23(32)28-13(2)15-11-17(24)16-12-27-29-20(16)18(15)14-8-6-5-7-9-14/h4-9,11-13,26H,1,10H2,2-3H3,(H2,25,30)(H,27,29)(H,28,32)
InChIKeyMIWZLDJZICAUFK-UHFFFAOYSA-N
XLogP4.29
TPSA113.65 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.95
LogP ≤ 54.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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 3-amino-N-[1-(4-chloro-7-phenyl-1H-indazol-6-yl)ethyl]-1-methyl-5-(prop-2-enylamino)pyrazole-4-carboxamide?
The IUPAC name of 3-amino-N-[1-(4-chloro-7-phenyl-1H-indazol-6-yl)ethyl]-1-methyl-5-(prop-2-enylamino)pyrazole-4-carboxamide (CID 145307682) is 3-amino-N-[1-(4-chloro-7-phenyl-1H-indazol-6-yl)ethyl]-1-methyl-5-(prop-2-enylamino)pyrazole-4-carboxamide.
What is the SMILES notation for 3-amino-N-[1-(4-chloro-7-phenyl-1H-indazol-6-yl)ethyl]-1-methyl-5-(prop-2-enylamino)pyrazole-4-carboxamide?
The canonical SMILES for 3-amino-N-[1-(4-chloro-7-phenyl-1H-indazol-6-yl)ethyl]-1-methyl-5-(prop-2-enylamino)pyrazole-4-carboxamide is C=CCNc1c(C(=O)NC(C)c2cc(Cl)c3cn[nH]c3c2-c2ccccc2)c(N)nn1C.
What is the InChIKey of 3-amino-N-[1-(4-chloro-7-phenyl-1H-indazol-6-yl)ethyl]-1-methyl-5-(prop-2-enylamino)pyrazole-4-carboxamide?
The InChIKey is MIWZLDJZICAUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN7O/c1-4-10-26-22-19(21(25)30-31(22)3)23(32)28-13(2)15-11-17(24)16-12-27-29-20(16)18(15)14-8-6-5-7-9-14/h4-9,11-13,26H,1,10H2,2-3H3,(H2,25,30)(H,27,29)(H,28,32).
What are the key properties of 3-amino-N-[1-(4-chloro-7-phenyl-1H-indazol-6-yl)ethyl]-1-methyl-5-(prop-2-enylamino)pyrazole-4-carboxamide?
3-amino-N-[1-(4-chloro-7-phenyl-1H-indazol-6-yl)ethyl]-1-methyl-5-(prop-2-enylamino)pyrazole-4-carboxamide has a molecular weight of 449.95 g/mol, XLogP of 4.29, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(4-chloro-7-phenyl-1H-indazol-6-yl)ethyl]-1-methyl-5-(prop-2-enylamino)pyrazole-4-carboxamide is sourced from PubChem (CID 145307682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).