3-amino-N',N',5-trimethyl-1H-pyrazole-4-carbohydrazide

C7H13N5O — CID 83023624

IUPAC3-amino-N',N',5-trimethyl-1H-pyrazole-4-carbohydrazide
SMILESCc1[nH]nc(N)c1C(=O)NN(C)C
InChIInChI=1S/C7H13N5O/c1-4-5(6(8)10-9-4)7(13)11-12(2)3/h1-3H3,(H,11,13)(H3,8,9,10)
InChIKeyZCYYWMRVDDTXPJ-UHFFFAOYSA-N
MW183.22 g/mol
LogP-0.49
Rot. Bonds2

About 3-amino-N',N',5-trimethyl-1H-pyrazole-4-carbohydrazide

3-amino-N',N',5-trimethyl-1H-pyrazole-4-carbohydrazide (PubChem CID 83023624) has the molecular formula C7H13N5O and a molecular weight of 183.22 g/mol. Its IUPAC name is 3-amino-N',N',5-trimethyl-1H-pyrazole-4-carbohydrazide.

Molecular Properties

Compound Name3-amino-N',N',5-trimethyl-1H-pyrazole-4-carbohydrazide
PubChem CID83023624
Molecular FormulaC7H13N5O
Molecular Weight183.22 g/mol
Exact Mass183.11
IUPAC Name3-amino-N',N',5-trimethyl-1H-pyrazole-4-carbohydrazide
SMILESCc1[nH]nc(N)c1C(=O)NN(C)C
InChIInChI=1S/C7H13N5O/c1-4-5(6(8)10-9-4)7(13)11-12(2)3/h1-3H3,(H,11,13)(H3,8,9,10)
InChIKeyZCYYWMRVDDTXPJ-UHFFFAOYSA-N
XLogP-0.49
TPSA87.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.22
LogP ≤ 5-0.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N',N',5-trimethyl-1H-pyrazole-4-carbohydrazide?
The IUPAC name of 3-amino-N',N',5-trimethyl-1H-pyrazole-4-carbohydrazide (CID 83023624) is 3-amino-N',N',5-trimethyl-1H-pyrazole-4-carbohydrazide.
What is the SMILES notation for 3-amino-N',N',5-trimethyl-1H-pyrazole-4-carbohydrazide?
The canonical SMILES for 3-amino-N',N',5-trimethyl-1H-pyrazole-4-carbohydrazide is Cc1[nH]nc(N)c1C(=O)NN(C)C.
What is the InChIKey of 3-amino-N',N',5-trimethyl-1H-pyrazole-4-carbohydrazide?
The InChIKey is ZCYYWMRVDDTXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5O/c1-4-5(6(8)10-9-4)7(13)11-12(2)3/h1-3H3,(H,11,13)(H3,8,9,10).
What are the key properties of 3-amino-N',N',5-trimethyl-1H-pyrazole-4-carbohydrazide?
3-amino-N',N',5-trimethyl-1H-pyrazole-4-carbohydrazide has a molecular weight of 183.22 g/mol, XLogP of -0.49, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N',N',5-trimethyl-1H-pyrazole-4-carbohydrazide is sourced from PubChem (CID 83023624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).