5-(1,2-dimethyl-5-propan-2-ylindol-3-yl)-1H-pyrazol-3-amine

C16H20N4 — CID 84743031

IUPAC5-(1,2-dimethyl-5-propan-2-ylindol-3-yl)-1H-pyrazol-3-amine
SMILESCc1c(-c2cc(N)n[nH]2)c2cc(C(C)C)ccc2n1C
InChIInChI=1S/C16H20N4/c1-9(2)11-5-6-14-12(7-11)16(10(3)20(14)4)13-8-15(17)19-18-13/h5-9H,1-4H3,(H3,17,18,19)
InChIKeyMDMSVWCRXZQZFV-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.58
Rot. Bonds2

About 5-(1,2-dimethyl-5-propan-2-ylindol-3-yl)-1H-pyrazol-3-amine

5-(1,2-dimethyl-5-propan-2-ylindol-3-yl)-1H-pyrazol-3-amine (PubChem CID 84743031) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is 5-(1,2-dimethyl-5-propan-2-ylindol-3-yl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(1,2-dimethyl-5-propan-2-ylindol-3-yl)-1H-pyrazol-3-amine
PubChem CID84743031
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC Name5-(1,2-dimethyl-5-propan-2-ylindol-3-yl)-1H-pyrazol-3-amine
SMILESCc1c(-c2cc(N)n[nH]2)c2cc(C(C)C)ccc2n1C
InChIInChI=1S/C16H20N4/c1-9(2)11-5-6-14-12(7-11)16(10(3)20(14)4)13-8-15(17)19-18-13/h5-9H,1-4H3,(H3,17,18,19)
InChIKeyMDMSVWCRXZQZFV-UHFFFAOYSA-N
XLogP3.58
TPSA59.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1,2-dimethyl-5-propan-2-ylindol-3-yl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(1,2-dimethyl-5-propan-2-ylindol-3-yl)-1H-pyrazol-3-amine (CID 84743031) is 5-(1,2-dimethyl-5-propan-2-ylindol-3-yl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(1,2-dimethyl-5-propan-2-ylindol-3-yl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(1,2-dimethyl-5-propan-2-ylindol-3-yl)-1H-pyrazol-3-amine is Cc1c(-c2cc(N)n[nH]2)c2cc(C(C)C)ccc2n1C.
What is the InChIKey of 5-(1,2-dimethyl-5-propan-2-ylindol-3-yl)-1H-pyrazol-3-amine?
The InChIKey is MDMSVWCRXZQZFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-9(2)11-5-6-14-12(7-11)16(10(3)20(14)4)13-8-15(17)19-18-13/h5-9H,1-4H3,(H3,17,18,19).
What are the key properties of 5-(1,2-dimethyl-5-propan-2-ylindol-3-yl)-1H-pyrazol-3-amine?
5-(1,2-dimethyl-5-propan-2-ylindol-3-yl)-1H-pyrazol-3-amine has a molecular weight of 268.36 g/mol, XLogP of 3.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,2-dimethyl-5-propan-2-ylindol-3-yl)-1H-pyrazol-3-amine is sourced from PubChem (CID 84743031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).