N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-1H-indazol-6-amine

C16H21N5 — CID 83090155

IUPACN-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-1H-indazol-6-amine
SMILESCn1cc(CNc2ccc3cn[nH]c3c2)c(C(C)(C)C)n1
InChIInChI=1S/C16H21N5/c1-16(2,3)15-12(10-21(4)20-15)8-17-13-6-5-11-9-18-19-14(11)7-13/h5-7,9-10,17H,8H2,1-4H3,(H,18,19)
InChIKeyAMDSCBCNJJFZBR-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.21
Rot. Bonds3

About N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-1H-indazol-6-amine

N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-1H-indazol-6-amine (PubChem CID 83090155) has the molecular formula C16H21N5 and a molecular weight of 283.38 g/mol. Its IUPAC name is N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-1H-indazol-6-amine.

Molecular Properties

Compound NameN-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-1H-indazol-6-amine
PubChem CID83090155
Molecular FormulaC16H21N5
Molecular Weight283.38 g/mol
Exact Mass283.18
IUPAC NameN-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-1H-indazol-6-amine
SMILESCn1cc(CNc2ccc3cn[nH]c3c2)c(C(C)(C)C)n1
InChIInChI=1S/C16H21N5/c1-16(2,3)15-12(10-21(4)20-15)8-17-13-6-5-11-9-18-19-14(11)7-13/h5-7,9-10,17H,8H2,1-4H3,(H,18,19)
InChIKeyAMDSCBCNJJFZBR-UHFFFAOYSA-N
XLogP3.21
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]phenol
CID 83089718
N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-1H-indazol-5-amine
CID 75386369
N-[(1-propylpyrrol-3-yl)methyl]-1H-indazol-6-amine
CID 66413787
N-[(4-ethylphenyl)methyl]-1H-indazol-6-amine
CID 43743407
N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-2-chloropyridin-4-amine
CID 83089816
N-[(1-ethylpyrazol-4-yl)methyl]-1H-indazol-6-amine
CID 103569324
N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-5-methylpyridin-3-amine
CID 103887758
N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-4-ethoxyaniline
CID 83075774
N-[(3,4-dimethylphenyl)methyl]-1H-indazol-6-amine
CID 43790642
N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-3-ethynylaniline
CID 83086334
N-[[4-(trifluoromethyl)phenyl]methyl]-1H-indazol-6-amine
CID 5333527
N-[(4-propan-2-ylphenyl)methyl]-1H-indazol-6-amine
CID 43229901

Frequently Asked Questions

What is the IUPAC name of N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-1H-indazol-6-amine?
The IUPAC name of N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-1H-indazol-6-amine (CID 83090155) is N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-1H-indazol-6-amine.
What is the SMILES notation for N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-1H-indazol-6-amine?
The canonical SMILES for N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-1H-indazol-6-amine is Cn1cc(CNc2ccc3cn[nH]c3c2)c(C(C)(C)C)n1.
What is the InChIKey of N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-1H-indazol-6-amine?
The InChIKey is AMDSCBCNJJFZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5/c1-16(2,3)15-12(10-21(4)20-15)8-17-13-6-5-11-9-18-19-14(11)7-13/h5-7,9-10,17H,8H2,1-4H3,(H,18,19).
What are the key properties of N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-1H-indazol-6-amine?
N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-1H-indazol-6-amine has a molecular weight of 283.38 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-1H-indazol-6-amine is sourced from PubChem (CID 83090155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).