N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-1-(difluoromethyl)indazol-5-amine

C17H21F2N5 — CID 75514117

IUPACN-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-1-(difluoromethyl)indazol-5-amine
SMILESCCc1nn(C)c(CC)c1CNc1ccc2c(cnn2C(F)F)c1
InChIInChI=1S/C17H21F2N5/c1-4-14-13(15(5-2)23(3)22-14)10-20-12-6-7-16-11(8-12)9-21-24(16)17(18)19/h6-9,17,20H,4-5,10H2,1-3H3
InChIKeySZYFRRDGLAXSKQ-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.90
Rot. Bonds6

About N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-1-(difluoromethyl)indazol-5-amine

N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-1-(difluoromethyl)indazol-5-amine (PubChem CID 75514117) has the molecular formula C17H21F2N5 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-1-(difluoromethyl)indazol-5-amine.

Molecular Properties

Compound NameN-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-1-(difluoromethyl)indazol-5-amine
PubChem CID75514117
Molecular FormulaC17H21F2N5
Molecular Weight333.39 g/mol
Exact Mass333.18
IUPAC NameN-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-1-(difluoromethyl)indazol-5-amine
SMILESCCc1nn(C)c(CC)c1CNc1ccc2c(cnn2C(F)F)c1
InChIInChI=1S/C17H21F2N5/c1-4-14-13(15(5-2)23(3)22-14)10-20-12-6-7-16-11(8-12)9-21-24(16)17(18)19/h6-9,17,20H,4-5,10H2,1-3H3
InChIKeySZYFRRDGLAXSKQ-UHFFFAOYSA-N
XLogP3.90
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-1-(difluoromethyl)indazol-5-amine?
The IUPAC name of N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-1-(difluoromethyl)indazol-5-amine (CID 75514117) is N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-1-(difluoromethyl)indazol-5-amine.
What is the SMILES notation for N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-1-(difluoromethyl)indazol-5-amine?
The canonical SMILES for N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-1-(difluoromethyl)indazol-5-amine is CCc1nn(C)c(CC)c1CNc1ccc2c(cnn2C(F)F)c1.
What is the InChIKey of N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-1-(difluoromethyl)indazol-5-amine?
The InChIKey is SZYFRRDGLAXSKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F2N5/c1-4-14-13(15(5-2)23(3)22-14)10-20-12-6-7-16-11(8-12)9-21-24(16)17(18)19/h6-9,17,20H,4-5,10H2,1-3H3.
What are the key properties of N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-1-(difluoromethyl)indazol-5-amine?
N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-1-(difluoromethyl)indazol-5-amine has a molecular weight of 333.39 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-1-(difluoromethyl)indazol-5-amine is sourced from PubChem (CID 75514117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).