3-amino-N,N-bis(2-methylpropyl)-1H-pyrazole-5-carboxamide

C12H22N4O — CID 64523835

IUPAC3-amino-N,N-bis(2-methylpropyl)-1H-pyrazole-5-carboxamide
SMILESCC(C)CN(CC(C)C)C(=O)c1cc(N)n[nH]1
InChIInChI=1S/C12H22N4O/c1-8(2)6-16(7-9(3)4)12(17)10-5-11(13)15-14-10/h5,8-9H,6-7H2,1-4H3,(H3,13,14,15)
InChIKeyFLSGFERKFZTYJI-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.75
Rot. Bonds5

About 3-amino-N,N-bis(2-methylpropyl)-1H-pyrazole-5-carboxamide

3-amino-N,N-bis(2-methylpropyl)-1H-pyrazole-5-carboxamide (PubChem CID 64523835) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-amino-N,N-bis(2-methylpropyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N,N-bis(2-methylpropyl)-1H-pyrazole-5-carboxamide
PubChem CID64523835
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name3-amino-N,N-bis(2-methylpropyl)-1H-pyrazole-5-carboxamide
SMILESCC(C)CN(CC(C)C)C(=O)c1cc(N)n[nH]1
InChIInChI=1S/C12H22N4O/c1-8(2)6-16(7-9(3)4)12(17)10-5-11(13)15-14-10/h5,8-9H,6-7H2,1-4H3,(H3,13,14,15)
InChIKeyFLSGFERKFZTYJI-UHFFFAOYSA-N
XLogP1.75
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N,N-bis(2-methylpropyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-amino-N,N-bis(2-methylpropyl)-1H-pyrazole-5-carboxamide (CID 64523835) is 3-amino-N,N-bis(2-methylpropyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-amino-N,N-bis(2-methylpropyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-amino-N,N-bis(2-methylpropyl)-1H-pyrazole-5-carboxamide is CC(C)CN(CC(C)C)C(=O)c1cc(N)n[nH]1.
What is the InChIKey of 3-amino-N,N-bis(2-methylpropyl)-1H-pyrazole-5-carboxamide?
The InChIKey is FLSGFERKFZTYJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-8(2)6-16(7-9(3)4)12(17)10-5-11(13)15-14-10/h5,8-9H,6-7H2,1-4H3,(H3,13,14,15).
What are the key properties of 3-amino-N,N-bis(2-methylpropyl)-1H-pyrazole-5-carboxamide?
3-amino-N,N-bis(2-methylpropyl)-1H-pyrazole-5-carboxamide has a molecular weight of 238.33 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,N-bis(2-methylpropyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 64523835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).