N-[5-(1-ethylpiperidine-4-carbonyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-3-methylbutanamide

C20H33N5O2 — CID 54586825

IUPACN-[5-(1-ethylpiperidine-4-carbonyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-3-methylbutanamide
SMILESCCN1CCC(C(=O)N2Cc3c(NC(=O)CC(C)C)n[nH]c3C2(C)C)CC1
InChIInChI=1S/C20H33N5O2/c1-6-24-9-7-14(8-10-24)19(27)25-12-15-17(20(25,4)5)22-23-18(15)21-16(26)11-13(2)3/h13-14H,6-12H2,1-5H3,(H2,21,22,23,26)
InChIKeyNCSLRHGXEKHUGV-UHFFFAOYSA-N
MW375.52 g/mol
LogP2.70
Rot. Bonds5

About N-[5-(1-ethylpiperidine-4-carbonyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-3-methylbutanamide

N-[5-(1-ethylpiperidine-4-carbonyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-3-methylbutanamide (PubChem CID 54586825) has the molecular formula C20H33N5O2 and a molecular weight of 375.52 g/mol. Its IUPAC name is N-[5-(1-ethylpiperidine-4-carbonyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[5-(1-ethylpiperidine-4-carbonyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-3-methylbutanamide
PubChem CID54586825
Molecular FormulaC20H33N5O2
Molecular Weight375.52 g/mol
Exact Mass375.26
IUPAC NameN-[5-(1-ethylpiperidine-4-carbonyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-3-methylbutanamide
SMILESCCN1CCC(C(=O)N2Cc3c(NC(=O)CC(C)C)n[nH]c3C2(C)C)CC1
InChIInChI=1S/C20H33N5O2/c1-6-24-9-7-14(8-10-24)19(27)25-12-15-17(20(25,4)5)22-23-18(15)21-16(26)11-13(2)3/h13-14H,6-12H2,1-5H3,(H2,21,22,23,26)
InChIKeyNCSLRHGXEKHUGV-UHFFFAOYSA-N
XLogP2.70
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(1-ethylpiperidine-4-carbonyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-3-methylbutanamide?
The IUPAC name of N-[5-(1-ethylpiperidine-4-carbonyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-3-methylbutanamide (CID 54586825) is N-[5-(1-ethylpiperidine-4-carbonyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-3-methylbutanamide.
What is the SMILES notation for N-[5-(1-ethylpiperidine-4-carbonyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-3-methylbutanamide?
The canonical SMILES for N-[5-(1-ethylpiperidine-4-carbonyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-3-methylbutanamide is CCN1CCC(C(=O)N2Cc3c(NC(=O)CC(C)C)n[nH]c3C2(C)C)CC1.
What is the InChIKey of N-[5-(1-ethylpiperidine-4-carbonyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-3-methylbutanamide?
The InChIKey is NCSLRHGXEKHUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5O2/c1-6-24-9-7-14(8-10-24)19(27)25-12-15-17(20(25,4)5)22-23-18(15)21-16(26)11-13(2)3/h13-14H,6-12H2,1-5H3,(H2,21,22,23,26).
What are the key properties of N-[5-(1-ethylpiperidine-4-carbonyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-3-methylbutanamide?
N-[5-(1-ethylpiperidine-4-carbonyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-3-methylbutanamide has a molecular weight of 375.52 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1-ethylpiperidine-4-carbonyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-3-methylbutanamide is sourced from PubChem (CID 54586825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).