3-[4-amino-1-[3-(dimethylamino)-2-methylpropyl]pyrazol-3-yl]-1-[3-(dimethylamino)-2-methylpropyl]pyrazol-4-amine

C18H34N8 — CID 174781515

IUPAC3-[4-amino-1-[3-(dimethylamino)-2-methylpropyl]pyrazol-3-yl]-1-[3-(dimethylamino)-2-methylpropyl]pyrazol-4-amine
SMILESCC(CN(C)C)Cn1cc(N)c(-c2nn(CC(C)CN(C)C)cc2N)n1
InChIInChI=1S/C18H34N8/c1-13(7-23(3)4)9-25-11-15(19)17(21-25)18-16(20)12-26(22-18)10-14(2)8-24(5)6/h11-14H,7-10,19-20H2,1-6H3
InChIKeyMIJOWJCVRMIQLB-UHFFFAOYSA-N
MW362.53 g/mol
LogP1.31
Rot. Bonds9

About 3-[4-amino-1-[3-(dimethylamino)-2-methylpropyl]pyrazol-3-yl]-1-[3-(dimethylamino)-2-methylpropyl]pyrazol-4-amine

3-[4-amino-1-[3-(dimethylamino)-2-methylpropyl]pyrazol-3-yl]-1-[3-(dimethylamino)-2-methylpropyl]pyrazol-4-amine (PubChem CID 174781515) has the molecular formula C18H34N8 and a molecular weight of 362.53 g/mol. Its IUPAC name is 3-[4-amino-1-[3-(dimethylamino)-2-methylpropyl]pyrazol-3-yl]-1-[3-(dimethylamino)-2-methylpropyl]pyrazol-4-amine.

Molecular Properties

Compound Name3-[4-amino-1-[3-(dimethylamino)-2-methylpropyl]pyrazol-3-yl]-1-[3-(dimethylamino)-2-methylpropyl]pyrazol-4-amine
PubChem CID174781515
Molecular FormulaC18H34N8
Molecular Weight362.53 g/mol
Exact Mass362.29
IUPAC Name3-[4-amino-1-[3-(dimethylamino)-2-methylpropyl]pyrazol-3-yl]-1-[3-(dimethylamino)-2-methylpropyl]pyrazol-4-amine
SMILESCC(CN(C)C)Cn1cc(N)c(-c2nn(CC(C)CN(C)C)cc2N)n1
InChIInChI=1S/C18H34N8/c1-13(7-23(3)4)9-25-11-15(19)17(21-25)18-16(20)12-26(22-18)10-14(2)8-24(5)6/h11-14H,7-10,19-20H2,1-6H3
InChIKeyMIJOWJCVRMIQLB-UHFFFAOYSA-N
XLogP1.31
TPSA94.16 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.53
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[4-amino-1-[3-(dimethylamino)-2-methylpropyl]pyrazol-3-yl]-1-[3-(dimethylamino)-2-methylpropyl]pyrazol-4-amine?
The IUPAC name of 3-[4-amino-1-[3-(dimethylamino)-2-methylpropyl]pyrazol-3-yl]-1-[3-(dimethylamino)-2-methylpropyl]pyrazol-4-amine (CID 174781515) is 3-[4-amino-1-[3-(dimethylamino)-2-methylpropyl]pyrazol-3-yl]-1-[3-(dimethylamino)-2-methylpropyl]pyrazol-4-amine.
What is the SMILES notation for 3-[4-amino-1-[3-(dimethylamino)-2-methylpropyl]pyrazol-3-yl]-1-[3-(dimethylamino)-2-methylpropyl]pyrazol-4-amine?
The canonical SMILES for 3-[4-amino-1-[3-(dimethylamino)-2-methylpropyl]pyrazol-3-yl]-1-[3-(dimethylamino)-2-methylpropyl]pyrazol-4-amine is CC(CN(C)C)Cn1cc(N)c(-c2nn(CC(C)CN(C)C)cc2N)n1.
What is the InChIKey of 3-[4-amino-1-[3-(dimethylamino)-2-methylpropyl]pyrazol-3-yl]-1-[3-(dimethylamino)-2-methylpropyl]pyrazol-4-amine?
The InChIKey is MIJOWJCVRMIQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N8/c1-13(7-23(3)4)9-25-11-15(19)17(21-25)18-16(20)12-26(22-18)10-14(2)8-24(5)6/h11-14H,7-10,19-20H2,1-6H3.
What are the key properties of 3-[4-amino-1-[3-(dimethylamino)-2-methylpropyl]pyrazol-3-yl]-1-[3-(dimethylamino)-2-methylpropyl]pyrazol-4-amine?
3-[4-amino-1-[3-(dimethylamino)-2-methylpropyl]pyrazol-3-yl]-1-[3-(dimethylamino)-2-methylpropyl]pyrazol-4-amine has a molecular weight of 362.53 g/mol, XLogP of 1.31, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-amino-1-[3-(dimethylamino)-2-methylpropyl]pyrazol-3-yl]-1-[3-(dimethylamino)-2-methylpropyl]pyrazol-4-amine is sourced from PubChem (CID 174781515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).