1-[6,6-dimethyl-5-(1-methylpiperidine-4-carbonyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-3-propylurea

C18H30N6O2 — CID 10428750

IUPAC1-[6,6-dimethyl-5-(1-methylpiperidine-4-carbonyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-3-propylurea
SMILESCCCNC(=O)Nc1n[nH]c2c1CN(C(=O)C1CCN(C)CC1)C2(C)C
InChIInChI=1S/C18H30N6O2/c1-5-8-19-17(26)20-15-13-11-24(18(2,3)14(13)21-22-15)16(25)12-6-9-23(4)10-7-12/h12H,5-11H2,1-4H3,(H3,19,20,21,22,26)
InChIKeySMHOLGURUXBSTC-UHFFFAOYSA-N
MW362.48 g/mol
LogP1.86
Rot. Bonds4

About 1-[6,6-dimethyl-5-(1-methylpiperidine-4-carbonyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-3-propylurea

1-[6,6-dimethyl-5-(1-methylpiperidine-4-carbonyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-3-propylurea (PubChem CID 10428750) has the molecular formula C18H30N6O2 and a molecular weight of 362.48 g/mol. Its IUPAC name is 1-[6,6-dimethyl-5-(1-methylpiperidine-4-carbonyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-3-propylurea.

Molecular Properties

Compound Name1-[6,6-dimethyl-5-(1-methylpiperidine-4-carbonyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-3-propylurea
PubChem CID10428750
Molecular FormulaC18H30N6O2
Molecular Weight362.48 g/mol
Exact Mass362.24
IUPAC Name1-[6,6-dimethyl-5-(1-methylpiperidine-4-carbonyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-3-propylurea
SMILESCCCNC(=O)Nc1n[nH]c2c1CN(C(=O)C1CCN(C)CC1)C2(C)C
InChIInChI=1S/C18H30N6O2/c1-5-8-19-17(26)20-15-13-11-24(18(2,3)14(13)21-22-15)16(25)12-6-9-23(4)10-7-12/h12H,5-11H2,1-4H3,(H3,19,20,21,22,26)
InChIKeySMHOLGURUXBSTC-UHFFFAOYSA-N
XLogP1.86
TPSA93.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[6,6-dimethyl-5-(1-methylpiperidine-4-carbonyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-3-propylurea?
The IUPAC name of 1-[6,6-dimethyl-5-(1-methylpiperidine-4-carbonyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-3-propylurea (CID 10428750) is 1-[6,6-dimethyl-5-(1-methylpiperidine-4-carbonyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-3-propylurea.
What is the SMILES notation for 1-[6,6-dimethyl-5-(1-methylpiperidine-4-carbonyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-3-propylurea?
The canonical SMILES for 1-[6,6-dimethyl-5-(1-methylpiperidine-4-carbonyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-3-propylurea is CCCNC(=O)Nc1n[nH]c2c1CN(C(=O)C1CCN(C)CC1)C2(C)C.
What is the InChIKey of 1-[6,6-dimethyl-5-(1-methylpiperidine-4-carbonyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-3-propylurea?
The InChIKey is SMHOLGURUXBSTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N6O2/c1-5-8-19-17(26)20-15-13-11-24(18(2,3)14(13)21-22-15)16(25)12-6-9-23(4)10-7-12/h12H,5-11H2,1-4H3,(H3,19,20,21,22,26).
What are the key properties of 1-[6,6-dimethyl-5-(1-methylpiperidine-4-carbonyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-3-propylurea?
1-[6,6-dimethyl-5-(1-methylpiperidine-4-carbonyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-3-propylurea has a molecular weight of 362.48 g/mol, XLogP of 1.86, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6,6-dimethyl-5-(1-methylpiperidine-4-carbonyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-3-propylurea is sourced from PubChem (CID 10428750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).