4-amino-N-[1-(2H-tetrazol-5-yl)ethyl]-1H-pyrazole-5-carboxamide

C7H10N8O — CID 63102891

IUPAC4-amino-N-[1-(2H-tetrazol-5-yl)ethyl]-1H-pyrazole-5-carboxamide
SMILESCC(NC(=O)c1[nH]ncc1N)c1nn[nH]n1
InChIInChI=1S/C7H10N8O/c1-3(6-12-14-15-13-6)10-7(16)5-4(8)2-9-11-5/h2-3H,8H2,1H3,(H,9,11)(H,10,16)(H,12,13,14,15)
InChIKeyZLAIZNWVPYLDFR-UHFFFAOYSA-N
MW222.21 g/mol
LogP-1.00
Rot. Bonds3

About 4-amino-N-[1-(2H-tetrazol-5-yl)ethyl]-1H-pyrazole-5-carboxamide

4-amino-N-[1-(2H-tetrazol-5-yl)ethyl]-1H-pyrazole-5-carboxamide (PubChem CID 63102891) has the molecular formula C7H10N8O and a molecular weight of 222.21 g/mol. Its IUPAC name is 4-amino-N-[1-(2H-tetrazol-5-yl)ethyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-[1-(2H-tetrazol-5-yl)ethyl]-1H-pyrazole-5-carboxamide
PubChem CID63102891
Molecular FormulaC7H10N8O
Molecular Weight222.21 g/mol
Exact Mass222.10
IUPAC Name4-amino-N-[1-(2H-tetrazol-5-yl)ethyl]-1H-pyrazole-5-carboxamide
SMILESCC(NC(=O)c1[nH]ncc1N)c1nn[nH]n1
InChIInChI=1S/C7H10N8O/c1-3(6-12-14-15-13-6)10-7(16)5-4(8)2-9-11-5/h2-3H,8H2,1H3,(H,9,11)(H,10,16)(H,12,13,14,15)
InChIKeyZLAIZNWVPYLDFR-UHFFFAOYSA-N
XLogP-1.00
TPSA138.26 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.21
LogP ≤ 5-1.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-[(2S)-1-hydroxypropan-2-yl]-1H-pyrazole-5-carboxamide
CID 107210477
4-amino-N-pentan-3-yl-1H-pyrazole-5-carboxamide
CID 63106670
4-amino-N-[1-(dimethylamino)propan-2-yl]-1H-pyrazole-5-carboxamide
CID 82944742
3-amino-2-chloro-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide
CID 112575806
4-amino-N-but-3-yn-2-yl-1H-pyrazole-5-carboxamide
CID 114414627
(2R)-2-amino-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide
CID 78977288
2-hydrazinyl-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide
CID 62248741
2,5-dichloro-N-[1-(2H-tetrazol-5-yl)ethyl]pyridine-4-carboxamide
CID 114918317
4-amino-N-(2,3-dimethylbutyl)-1H-pyrazole-5-carboxamide
CID 64570387
4-hydrazinyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyridine-3-carboxamide
CID 81256281
4-amino-N-[2-(dimethylamino)propyl]-1H-pyrazole-5-carboxamide
CID 63102506
4-amino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-1H-pyrazole-5-carboxamide
CID 114176687

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(2H-tetrazol-5-yl)ethyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-[1-(2H-tetrazol-5-yl)ethyl]-1H-pyrazole-5-carboxamide (CID 63102891) is 4-amino-N-[1-(2H-tetrazol-5-yl)ethyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-[1-(2H-tetrazol-5-yl)ethyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-[1-(2H-tetrazol-5-yl)ethyl]-1H-pyrazole-5-carboxamide is CC(NC(=O)c1[nH]ncc1N)c1nn[nH]n1.
What is the InChIKey of 4-amino-N-[1-(2H-tetrazol-5-yl)ethyl]-1H-pyrazole-5-carboxamide?
The InChIKey is ZLAIZNWVPYLDFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N8O/c1-3(6-12-14-15-13-6)10-7(16)5-4(8)2-9-11-5/h2-3H,8H2,1H3,(H,9,11)(H,10,16)(H,12,13,14,15).
What are the key properties of 4-amino-N-[1-(2H-tetrazol-5-yl)ethyl]-1H-pyrazole-5-carboxamide?
4-amino-N-[1-(2H-tetrazol-5-yl)ethyl]-1H-pyrazole-5-carboxamide has a molecular weight of 222.21 g/mol, XLogP of -1.00, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(2H-tetrazol-5-yl)ethyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 63102891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).