1-propan-2-yl-4-[5-[2-[4-[(2S)-pyrrolidin-2-yl]pyrazol-1-yl]propyl]pyrrolidin-2-yl]pyrazole

C20H32N6 — CID 166650136

IUPAC1-propan-2-yl-4-[5-[2-[4-[(2S)-pyrrolidin-2-yl]pyrazol-1-yl]propyl]pyrrolidin-2-yl]pyrazole
SMILESCC(C)n1cc(C2CCC(CC(C)n3cc([C@@H]4CCCN4)cn3)N2)cn1
InChIInChI=1S/C20H32N6/c1-14(2)25-12-17(11-22-25)20-7-6-18(24-20)9-15(3)26-13-16(10-23-26)19-5-4-8-21-19/h10-15,18-21,24H,4-9H2,1-3H3/t15?,18?,19-,20?/m0/s1
InChIKeyUVOXHSIPHHEWQX-DJDIOBIWSA-N
MW356.52 g/mol
LogP3.53
Rot. Bonds6

About 1-propan-2-yl-4-[5-[2-[4-[(2S)-pyrrolidin-2-yl]pyrazol-1-yl]propyl]pyrrolidin-2-yl]pyrazole

1-propan-2-yl-4-[5-[2-[4-[(2S)-pyrrolidin-2-yl]pyrazol-1-yl]propyl]pyrrolidin-2-yl]pyrazole (PubChem CID 166650136) has the molecular formula C20H32N6 and a molecular weight of 356.52 g/mol. Its IUPAC name is 1-propan-2-yl-4-[5-[2-[4-[(2S)-pyrrolidin-2-yl]pyrazol-1-yl]propyl]pyrrolidin-2-yl]pyrazole.

Molecular Properties

Compound Name1-propan-2-yl-4-[5-[2-[4-[(2S)-pyrrolidin-2-yl]pyrazol-1-yl]propyl]pyrrolidin-2-yl]pyrazole
PubChem CID166650136
Molecular FormulaC20H32N6
Molecular Weight356.52 g/mol
Exact Mass356.27
IUPAC Name1-propan-2-yl-4-[5-[2-[4-[(2S)-pyrrolidin-2-yl]pyrazol-1-yl]propyl]pyrrolidin-2-yl]pyrazole
SMILESCC(C)n1cc(C2CCC(CC(C)n3cc([C@@H]4CCCN4)cn3)N2)cn1
InChIInChI=1S/C20H32N6/c1-14(2)25-12-17(11-22-25)20-7-6-18(24-20)9-15(3)26-13-16(10-23-26)19-5-4-8-21-19/h10-15,18-21,24H,4-9H2,1-3H3/t15?,18?,19-,20?/m0/s1
InChIKeyUVOXHSIPHHEWQX-DJDIOBIWSA-N
XLogP3.53
TPSA59.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.52
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-4-[5-[2-[4-[(2S)-pyrrolidin-2-yl]pyrazol-1-yl]propyl]pyrrolidin-2-yl]pyrazole?
The IUPAC name of 1-propan-2-yl-4-[5-[2-[4-[(2S)-pyrrolidin-2-yl]pyrazol-1-yl]propyl]pyrrolidin-2-yl]pyrazole (CID 166650136) is 1-propan-2-yl-4-[5-[2-[4-[(2S)-pyrrolidin-2-yl]pyrazol-1-yl]propyl]pyrrolidin-2-yl]pyrazole.
What is the SMILES notation for 1-propan-2-yl-4-[5-[2-[4-[(2S)-pyrrolidin-2-yl]pyrazol-1-yl]propyl]pyrrolidin-2-yl]pyrazole?
The canonical SMILES for 1-propan-2-yl-4-[5-[2-[4-[(2S)-pyrrolidin-2-yl]pyrazol-1-yl]propyl]pyrrolidin-2-yl]pyrazole is CC(C)n1cc(C2CCC(CC(C)n3cc([C@@H]4CCCN4)cn3)N2)cn1.
What is the InChIKey of 1-propan-2-yl-4-[5-[2-[4-[(2S)-pyrrolidin-2-yl]pyrazol-1-yl]propyl]pyrrolidin-2-yl]pyrazole?
The InChIKey is UVOXHSIPHHEWQX-DJDIOBIWSA-N. The full InChI is InChI=1S/C20H32N6/c1-14(2)25-12-17(11-22-25)20-7-6-18(24-20)9-15(3)26-13-16(10-23-26)19-5-4-8-21-19/h10-15,18-21,24H,4-9H2,1-3H3/t15?,18?,19-,20?/m0/s1.
What are the key properties of 1-propan-2-yl-4-[5-[2-[4-[(2S)-pyrrolidin-2-yl]pyrazol-1-yl]propyl]pyrrolidin-2-yl]pyrazole?
1-propan-2-yl-4-[5-[2-[4-[(2S)-pyrrolidin-2-yl]pyrazol-1-yl]propyl]pyrrolidin-2-yl]pyrazole has a molecular weight of 356.52 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-4-[5-[2-[4-[(2S)-pyrrolidin-2-yl]pyrazol-1-yl]propyl]pyrrolidin-2-yl]pyrazole is sourced from PubChem (CID 166650136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).