N'-hydroxy-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboximidamide

C7H11N5O — CID 171370285

IUPACN'-hydroxy-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboximidamide
SMILESNC(=NO)c1cnn2c1NCCC2
InChIInChI=1S/C7H11N5O/c8-6(11-13)5-4-10-12-3-1-2-9-7(5)12/h4,9,13H,1-3H2,(H2,8,11)
InChIKeyGCBRSVHZJWLMMC-UHFFFAOYSA-N
MW181.20 g/mol
LogP-0.21
Rot. Bonds1

About N'-hydroxy-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboximidamide

N'-hydroxy-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboximidamide (PubChem CID 171370285) has the molecular formula C7H11N5O and a molecular weight of 181.20 g/mol. Its IUPAC name is N'-hydroxy-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboximidamide
PubChem CID171370285
Molecular FormulaC7H11N5O
Molecular Weight181.20 g/mol
Exact Mass181.10
IUPAC NameN'-hydroxy-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboximidamide
SMILESNC(=NO)c1cnn2c1NCCC2
InChIInChI=1S/C7H11N5O/c8-6(11-13)5-4-10-12-3-1-2-9-7(5)12/h4,9,13H,1-3H2,(H2,8,11)
InChIKeyGCBRSVHZJWLMMC-UHFFFAOYSA-N
XLogP-0.21
TPSA88.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.20
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

phenyl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 135671358
ethane;3-ethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 142538397
N-[2-(4-ethylphenyl)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 138014016
ethyl N-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonylamino)thiophene-3-carbonyl]carbamate
CID 163434261
tert-butyl N-[N'-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)carbamate
CID 136636343
2-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)propanamide
CID 165445223
1-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)phenyl]ethanamine
CID 165459436
ethyl (E)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)prop-2-enoate
CID 135732763
N-[4-[(E)-N'-hydroxycarbamimidoyl]-1-methylpyrazol-5-yl]pyrrolidine-1-carboxamide
CID 137277541
3-cyclopentyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)propanamide
CID 137253325
5-chloro-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)pyridine-3-carboxamide
CID 137255597
2,6-dimethyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)pyrimidine-4-carboxamide
CID 137253333

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboximidamide?
The IUPAC name of N'-hydroxy-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboximidamide (CID 171370285) is N'-hydroxy-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboximidamide is NC(=NO)c1cnn2c1NCCC2.
What is the InChIKey of N'-hydroxy-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboximidamide?
The InChIKey is GCBRSVHZJWLMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5O/c8-6(11-13)5-4-10-12-3-1-2-9-7(5)12/h4,9,13H,1-3H2,(H2,8,11).
What are the key properties of N'-hydroxy-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboximidamide?
N'-hydroxy-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboximidamide has a molecular weight of 181.20 g/mol, XLogP of -0.21, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboximidamide is sourced from PubChem (CID 171370285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).