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

C12H23N5O — CID 43159436

IUPAC5-amino-N-[2-[di(propan-2-yl)amino]ethyl]-1H-pyrazole-4-carboxamide
SMILESCC(C)N(CCNC(=O)c1cn[nH]c1N)C(C)C
InChIInChI=1S/C12H23N5O/c1-8(2)17(9(3)4)6-5-14-12(18)10-7-15-16-11(10)13/h7-9H,5-6H2,1-4H3,(H,14,18)(H3,13,15,16)
InChIKeyDXDLGXXIPYYUDT-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.84
Rot. Bonds6

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

5-amino-N-[2-[di(propan-2-yl)amino]ethyl]-1H-pyrazole-4-carboxamide (PubChem CID 43159436) has the molecular formula C12H23N5O and a molecular weight of 253.35 g/mol. Its IUPAC name is 5-amino-N-[2-[di(propan-2-yl)amino]ethyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-[2-[di(propan-2-yl)amino]ethyl]-1H-pyrazole-4-carboxamide
PubChem CID43159436
Molecular FormulaC12H23N5O
Molecular Weight253.35 g/mol
Exact Mass253.19
IUPAC Name5-amino-N-[2-[di(propan-2-yl)amino]ethyl]-1H-pyrazole-4-carboxamide
SMILESCC(C)N(CCNC(=O)c1cn[nH]c1N)C(C)C
InChIInChI=1S/C12H23N5O/c1-8(2)17(9(3)4)6-5-14-12(18)10-7-15-16-11(10)13/h7-9H,5-6H2,1-4H3,(H,14,18)(H3,13,15,16)
InChIKeyDXDLGXXIPYYUDT-UHFFFAOYSA-N
XLogP0.84
TPSA87.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-N-(2-aminoethyl)-1H-pyrazole-4-carboxamide
CID 110484096
5-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-1H-pyrazole-4-carboxamide
CID 62850107
5-amino-N-(2-chloroethyl)-1H-pyrazole-4-carboxamide
CID 123588221
4-N-[2-[di(propan-2-yl)amino]ethyl]-1H-pyrazole-4,5-diamine
CID 114988266
5-amino-N-(2,2-dimethylpropyl)-1H-pyrazole-4-carboxamide
CID 61168270
2-amino-N-[2-[di(propan-2-yl)amino]ethyl]pyridine-3-carboxamide
CID 62073972
6-[(5-amino-1H-pyrazole-4-carbonyl)amino]hexanoic acid
CID 110484163
3-amino-N-[2-[di(propan-2-yl)amino]ethyl]pyrazine-2-carboxamide
CID 30480999
5-amino-N-(2-cyclopentylethyl)-1H-pyrazole-4-carboxamide
CID 60920304
3-amino-N-[2-[di(propan-2-yl)amino]ethyl]-2-methylbenzamide
CID 18070893
5-amino-N-[2-(trifluoromethylsulfanyl)ethyl]-1H-pyrazole-4-carboxamide
CID 106432190
5-amino-N-[2-[di(propan-2-yl)amino]ethyl]pyridine-2-carboxamide
CID 81319681

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[2-[di(propan-2-yl)amino]ethyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-amino-N-[2-[di(propan-2-yl)amino]ethyl]-1H-pyrazole-4-carboxamide (CID 43159436) is 5-amino-N-[2-[di(propan-2-yl)amino]ethyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-[2-[di(propan-2-yl)amino]ethyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-N-[2-[di(propan-2-yl)amino]ethyl]-1H-pyrazole-4-carboxamide is CC(C)N(CCNC(=O)c1cn[nH]c1N)C(C)C.
What is the InChIKey of 5-amino-N-[2-[di(propan-2-yl)amino]ethyl]-1H-pyrazole-4-carboxamide?
The InChIKey is DXDLGXXIPYYUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O/c1-8(2)17(9(3)4)6-5-14-12(18)10-7-15-16-11(10)13/h7-9H,5-6H2,1-4H3,(H,14,18)(H3,13,15,16).
What are the key properties of 5-amino-N-[2-[di(propan-2-yl)amino]ethyl]-1H-pyrazole-4-carboxamide?
5-amino-N-[2-[di(propan-2-yl)amino]ethyl]-1H-pyrazole-4-carboxamide has a molecular weight of 253.35 g/mol, XLogP of 0.84, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[2-[di(propan-2-yl)amino]ethyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 43159436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).