N-(1H-indazol-7-ylmethyl)-1-(2-methoxyethyl)pyrazol-4-amine

C14H17N5O — CID 71969471

IUPACN-(1H-indazol-7-ylmethyl)-1-(2-methoxyethyl)pyrazol-4-amine
SMILESCOCCn1cc(NCc2cccc3cn[nH]c23)cn1
InChIInChI=1S/C14H17N5O/c1-20-6-5-19-10-13(9-17-19)15-7-11-3-2-4-12-8-16-18-14(11)12/h2-4,8-10,15H,5-7H2,1H3,(H,16,18)
InChIKeyCZWZKRLNAKHRNE-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.02
Rot. Bonds6

About N-(1H-indazol-7-ylmethyl)-1-(2-methoxyethyl)pyrazol-4-amine

N-(1H-indazol-7-ylmethyl)-1-(2-methoxyethyl)pyrazol-4-amine (PubChem CID 71969471) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is N-(1H-indazol-7-ylmethyl)-1-(2-methoxyethyl)pyrazol-4-amine.

Molecular Properties

Compound NameN-(1H-indazol-7-ylmethyl)-1-(2-methoxyethyl)pyrazol-4-amine
PubChem CID71969471
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC NameN-(1H-indazol-7-ylmethyl)-1-(2-methoxyethyl)pyrazol-4-amine
SMILESCOCCn1cc(NCc2cccc3cn[nH]c23)cn1
InChIInChI=1S/C14H17N5O/c1-20-6-5-19-10-13(9-17-19)15-7-11-3-2-4-12-8-16-18-14(11)12/h2-4,8-10,15H,5-7H2,1H3,(H,16,18)
InChIKeyCZWZKRLNAKHRNE-UHFFFAOYSA-N
XLogP2.02
TPSA67.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-7-ylmethyl)-1-(2-methoxyethyl)pyrazol-4-amine?
The IUPAC name of N-(1H-indazol-7-ylmethyl)-1-(2-methoxyethyl)pyrazol-4-amine (CID 71969471) is N-(1H-indazol-7-ylmethyl)-1-(2-methoxyethyl)pyrazol-4-amine.
What is the SMILES notation for N-(1H-indazol-7-ylmethyl)-1-(2-methoxyethyl)pyrazol-4-amine?
The canonical SMILES for N-(1H-indazol-7-ylmethyl)-1-(2-methoxyethyl)pyrazol-4-amine is COCCn1cc(NCc2cccc3cn[nH]c23)cn1.
What is the InChIKey of N-(1H-indazol-7-ylmethyl)-1-(2-methoxyethyl)pyrazol-4-amine?
The InChIKey is CZWZKRLNAKHRNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c1-20-6-5-19-10-13(9-17-19)15-7-11-3-2-4-12-8-16-18-14(11)12/h2-4,8-10,15H,5-7H2,1H3,(H,16,18).
What are the key properties of N-(1H-indazol-7-ylmethyl)-1-(2-methoxyethyl)pyrazol-4-amine?
N-(1H-indazol-7-ylmethyl)-1-(2-methoxyethyl)pyrazol-4-amine has a molecular weight of 271.32 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-7-ylmethyl)-1-(2-methoxyethyl)pyrazol-4-amine is sourced from PubChem (CID 71969471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).