5-(sulfinoamino)-1H-pyrazole

C3H5N3O2S — CID 19869231

IUPAC5-(sulfinoamino)-1H-pyrazole
SMILESO=S(O)Nc1ccn[nH]1
InChIInChI=1S/C3H5N3O2S/c7-9(8)6-3-1-2-4-5-3/h1-2H,(H,7,8)(H2,4,5,6)
InChIKeyNWQGRYJGQOAATP-UHFFFAOYSA-N
MW147.16 g/mol
LogP-0.04
Rot. Bonds2

About 5-(sulfinoamino)-1H-pyrazole

5-(sulfinoamino)-1H-pyrazole (PubChem CID 19869231) has the molecular formula C3H5N3O2S and a molecular weight of 147.16 g/mol. Its IUPAC name is 5-(sulfinoamino)-1H-pyrazole.

Molecular Properties

Compound Name5-(sulfinoamino)-1H-pyrazole
PubChem CID19869231
Molecular FormulaC3H5N3O2S
Molecular Weight147.16 g/mol
Exact Mass147.01
IUPAC Name5-(sulfinoamino)-1H-pyrazole
SMILESO=S(O)Nc1ccn[nH]1
InChIInChI=1S/C3H5N3O2S/c7-9(8)6-3-1-2-4-5-3/h1-2H,(H,7,8)(H2,4,5,6)
InChIKeyNWQGRYJGQOAATP-UHFFFAOYSA-N
XLogP-0.04
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.16
LogP ≤ 5-0.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

2-(1H-pyrazol-5-ylamino)acetic acid
CID 19590120
3-methylsulfinyl-N-(1H-pyrazol-5-yl)propanamide
CID 130652327
[phosphono-(1H-pyrazol-5-ylamino)methyl]phosphonic acid
CID 19992057
2-(1H-pyrazol-5-ylamino)acetamide
CID 69023835
2-(1H-pyrazol-5-ylamino)ethanol
CID 126655297
ethane;N-(1H-pyrazol-5-yl)formamide
CID 145301120
N-(1H-pyrazol-5-yl)benzamide
CID 23298723
2,2-dichloro-N-(1H-pyrazol-5-yl)propanamide
CID 126995468
3-chloro-N-(1H-pyrazol-5-yl)propanamide
CID 61394394
4-(chloromethyl)-N-(1H-pyrazol-5-yl)benzamide
CID 61394435
(E)-4-oxo-4-(1H-pyrazol-5-ylamino)but-2-enoic acid
CID 71670290
1,1-diethyl-3-(1H-pyrazol-5-yl)urea
CID 79161873

Frequently Asked Questions

What is the IUPAC name of 5-(sulfinoamino)-1H-pyrazole?
The IUPAC name of 5-(sulfinoamino)-1H-pyrazole (CID 19869231) is 5-(sulfinoamino)-1H-pyrazole.
What is the SMILES notation for 5-(sulfinoamino)-1H-pyrazole?
The canonical SMILES for 5-(sulfinoamino)-1H-pyrazole is O=S(O)Nc1ccn[nH]1.
What is the InChIKey of 5-(sulfinoamino)-1H-pyrazole?
The InChIKey is NWQGRYJGQOAATP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5N3O2S/c7-9(8)6-3-1-2-4-5-3/h1-2H,(H,7,8)(H2,4,5,6).
What are the key properties of 5-(sulfinoamino)-1H-pyrazole?
5-(sulfinoamino)-1H-pyrazole has a molecular weight of 147.16 g/mol, XLogP of -0.04, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(sulfinoamino)-1H-pyrazole is sourced from PubChem (CID 19869231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).