N,N-bis(2-amino-2-oxoethyl)-1H-pyrazole-4-carboxamide

C8H11N5O3 — CID 62923169

IUPACN,N-bis(2-amino-2-oxoethyl)-1H-pyrazole-4-carboxamide
SMILESNC(=O)CN(CC(N)=O)C(=O)c1cn[nH]c1
InChIInChI=1S/C8H11N5O3/c9-6(14)3-13(4-7(10)15)8(16)5-1-11-12-2-5/h1-2H,3-4H2,(H2,9,14)(H2,10,15)(H,11,12)
InChIKeyVFKHTTMKJWDHRX-UHFFFAOYSA-N
MW225.21 g/mol
LogP-2.18
Rot. Bonds5

About N,N-bis(2-amino-2-oxoethyl)-1H-pyrazole-4-carboxamide

N,N-bis(2-amino-2-oxoethyl)-1H-pyrazole-4-carboxamide (PubChem CID 62923169) has the molecular formula C8H11N5O3 and a molecular weight of 225.21 g/mol. Its IUPAC name is N,N-bis(2-amino-2-oxoethyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN,N-bis(2-amino-2-oxoethyl)-1H-pyrazole-4-carboxamide
PubChem CID62923169
Molecular FormulaC8H11N5O3
Molecular Weight225.21 g/mol
Exact Mass225.09
IUPAC NameN,N-bis(2-amino-2-oxoethyl)-1H-pyrazole-4-carboxamide
SMILESNC(=O)CN(CC(N)=O)C(=O)c1cn[nH]c1
InChIInChI=1S/C8H11N5O3/c9-6(14)3-13(4-7(10)15)8(16)5-1-11-12-2-5/h1-2H,3-4H2,(H2,9,14)(H2,10,15)(H,11,12)
InChIKeyVFKHTTMKJWDHRX-UHFFFAOYSA-N
XLogP-2.18
TPSA135.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 5-2.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-N-ethyl-1H-pyrazole-4-carboxamide
CID 63085431
N,N-bis(2-methoxyethyl)-1H-pyrazole-4-carboxamide
CID 43533016
N,N-bis[3-(dimethylamino)propyl]-1H-pyrazole-4-carboxamide
CID 60959519
1H-pyrazole-4-carboxamide;hydrochloride
CID 68722047
1H-pyrazole-4-carboxamide;trihydrochloride
CID 155658869
N-[2-(methylamino)-2-oxoethyl]-N-propyl-1H-pyrazole-4-carboxamide
CID 61041491
N-ethyl-N-prop-2-ynyl-1H-pyrazole-4-carboxamide
CID 78975317
N-(cyclopropylmethyl)-N-ethyl-1H-pyrazole-4-carboxamide
CID 63938903
N-[3-(dimethylamino)propyl]-N-ethyl-1H-pyrazole-4-carboxamide
CID 102978931
N,N-diphenyl-1H-pyrazole-4-carboxamide
CID 91240587
N,N-bis(2-amino-2-oxoethyl)-1H-indazole-6-carboxamide
CID 62923706
2-[cyclopropyl(1H-pyrazole-4-carbonyl)amino]acetic acid
CID 60825684

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-amino-2-oxoethyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N,N-bis(2-amino-2-oxoethyl)-1H-pyrazole-4-carboxamide (CID 62923169) is N,N-bis(2-amino-2-oxoethyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N,N-bis(2-amino-2-oxoethyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N,N-bis(2-amino-2-oxoethyl)-1H-pyrazole-4-carboxamide is NC(=O)CN(CC(N)=O)C(=O)c1cn[nH]c1.
What is the InChIKey of N,N-bis(2-amino-2-oxoethyl)-1H-pyrazole-4-carboxamide?
The InChIKey is VFKHTTMKJWDHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O3/c9-6(14)3-13(4-7(10)15)8(16)5-1-11-12-2-5/h1-2H,3-4H2,(H2,9,14)(H2,10,15)(H,11,12).
What are the key properties of N,N-bis(2-amino-2-oxoethyl)-1H-pyrazole-4-carboxamide?
N,N-bis(2-amino-2-oxoethyl)-1H-pyrazole-4-carboxamide has a molecular weight of 225.21 g/mol, XLogP of -2.18, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-amino-2-oxoethyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 62923169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).