[5-(cyclopentylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone

C18H29N5O — CID 97389072

IUPAC[5-(cyclopentylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2nn(C)c3c2CN(CC2CCCC2)C3)CC1
InChIInChI=1S/C18H29N5O/c1-20-7-9-23(10-8-20)18(24)17-15-12-22(11-14-5-3-4-6-14)13-16(15)21(2)19-17/h14H,3-13H2,1-2H3
InChIKeyPWAPEDFOIBIOCL-UHFFFAOYSA-N
MW331.46 g/mol
LogP1.31
Rot. Bonds3

About [5-(cyclopentylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone

[5-(cyclopentylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 97389072) has the molecular formula C18H29N5O and a molecular weight of 331.46 g/mol. Its IUPAC name is [5-(cyclopentylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[5-(cyclopentylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID97389072
Molecular FormulaC18H29N5O
Molecular Weight331.46 g/mol
Exact Mass331.24
IUPAC Name[5-(cyclopentylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2nn(C)c3c2CN(CC2CCCC2)C3)CC1
InChIInChI=1S/C18H29N5O/c1-20-7-9-23(10-8-20)18(24)17-15-12-22(11-14-5-3-4-6-14)13-16(15)21(2)19-17/h14H,3-13H2,1-2H3
InChIKeyPWAPEDFOIBIOCL-UHFFFAOYSA-N
XLogP1.31
TPSA44.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(cyclohexylmethyl)-N,N,1-trimethyl-4,6-dihydropyrrolo[3,4-d]pyrazole-3-carboxamide
CID 97389058
[6-(cyclohexylmethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]-morpholin-4-ylmethanone
CID 155901237
N,N,1-trimethyl-5-(oxan-4-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-3-carboxamide
CID 97461996
[5-(5-ethylpyrimidin-2-yl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 97462023
5-(cyclopropylmethyl)-1,3-dimethyl-4,6-dihydropyrrolo[3,4-d]pyrazole
CID 170244407
(5-cyclopropyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)-piperidin-1-ylmethanone
CID 163198682
[5-(1,3-benzodioxol-5-ylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-pyrrolidin-1-ylmethanone
CID 155901549
[1-methyl-3-(pyrrolidine-1-carbonyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-(oxolan-2-yl)methanone
CID 91917560
cyclobutyl-[1-methyl-3-(morpholine-4-carbonyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]methanone
CID 91917561
(1-methyl-6-methylsulfonyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl)-(4-methylpiperazin-1-yl)methanone;bis(2,2,2-trifluoroacetic acid)
CID 155823662
(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)-piperidin-1-ylmethanone
CID 110388981
[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone
CID 91945394

Frequently Asked Questions

What is the IUPAC name of [5-(cyclopentylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [5-(cyclopentylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone (CID 97389072) is [5-(cyclopentylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [5-(cyclopentylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [5-(cyclopentylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)c2nn(C)c3c2CN(CC2CCCC2)C3)CC1.
What is the InChIKey of [5-(cyclopentylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is PWAPEDFOIBIOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O/c1-20-7-9-23(10-8-20)18(24)17-15-12-22(11-14-5-3-4-6-14)13-16(15)21(2)19-17/h14H,3-13H2,1-2H3.
What are the key properties of [5-(cyclopentylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone?
[5-(cyclopentylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 331.46 g/mol, XLogP of 1.31, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(cyclopentylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 97389072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).