N-propyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide

C9H14N4O — CID 130690431

IUPACN-propyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide
SMILESCCCNC(=O)N1Cc2cn[nH]c2C1
InChIInChI=1S/C9H14N4O/c1-2-3-10-9(14)13-5-7-4-11-12-8(7)6-13/h4H,2-3,5-6H2,1H3,(H,10,14)(H,11,12)
InChIKeyGXSARZGLYYDHAX-UHFFFAOYSA-N
MW194.24 g/mol
LogP0.84
Rot. Bonds2

About N-propyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide

N-propyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide (PubChem CID 130690431) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is N-propyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-propyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide
PubChem CID130690431
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC NameN-propyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide
SMILESCCCNC(=O)N1Cc2cn[nH]c2C1
InChIInChI=1S/C9H14N4O/c1-2-3-10-9(14)13-5-7-4-11-12-8(7)6-13/h4H,2-3,5-6H2,1H3,(H,10,14)(H,11,12)
InChIKeyGXSARZGLYYDHAX-UHFFFAOYSA-N
XLogP0.84
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-3-methylbutan-1-one
CID 130641997
formic acid;N-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carboxamide
CID 175926714
(4-butoxyphenyl)-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
CID 86859849
(4-ethyl-5-propylthiophen-2-yl)-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
CID 75418089
(2-methoxyphenyl) 4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxylate
CID 172708505
N-[(1S)-1-thiophen-2-ylpropyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carboxamide
CID 126453676
1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxamide
CID 130658981
(2S)-2-anilino-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)butan-1-one
CID 28871514
4-(6-oxo-1H-pyridazine-3-carbonyl)-N-propylpiperazine-1-carboxamide
CID 110812162
N-propyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide
CID 115622101
(5-chloro-2-propoxyphenyl)-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
CID 71977744
[4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)-1-bicyclo[2.2.2]octanyl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
CID 166234515

Frequently Asked Questions

What is the IUPAC name of N-propyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide?
The IUPAC name of N-propyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide (CID 130690431) is N-propyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide.
What is the SMILES notation for N-propyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide?
The canonical SMILES for N-propyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide is CCCNC(=O)N1Cc2cn[nH]c2C1.
What is the InChIKey of N-propyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide?
The InChIKey is GXSARZGLYYDHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-2-3-10-9(14)13-5-7-4-11-12-8(7)6-13/h4H,2-3,5-6H2,1H3,(H,10,14)(H,11,12).
What are the key properties of N-propyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide?
N-propyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide has a molecular weight of 194.24 g/mol, XLogP of 0.84, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide is sourced from PubChem (CID 130690431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).