(4-amino-1H-pyrazol-5-yl)-(4-tert-butylpiperazin-1-yl)methanone

C12H21N5O — CID 63102700

IUPAC(4-amino-1H-pyrazol-5-yl)-(4-tert-butylpiperazin-1-yl)methanone
SMILESCC(C)(C)N1CCN(C(=O)c2[nH]ncc2N)CC1
InChIInChI=1S/C12H21N5O/c1-12(2,3)17-6-4-16(5-7-17)11(18)10-9(13)8-14-15-10/h8H,4-7,13H2,1-3H3,(H,14,15)
InChIKeyJWMFFPVOIAHXNG-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.55
Rot. Bonds1

About (4-amino-1H-pyrazol-5-yl)-(4-tert-butylpiperazin-1-yl)methanone

(4-amino-1H-pyrazol-5-yl)-(4-tert-butylpiperazin-1-yl)methanone (PubChem CID 63102700) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is (4-amino-1H-pyrazol-5-yl)-(4-tert-butylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-1H-pyrazol-5-yl)-(4-tert-butylpiperazin-1-yl)methanone
PubChem CID63102700
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name(4-amino-1H-pyrazol-5-yl)-(4-tert-butylpiperazin-1-yl)methanone
SMILESCC(C)(C)N1CCN(C(=O)c2[nH]ncc2N)CC1
InChIInChI=1S/C12H21N5O/c1-12(2,3)17-6-4-16(5-7-17)11(18)10-9(13)8-14-15-10/h8H,4-7,13H2,1-3H3,(H,14,15)
InChIKeyJWMFFPVOIAHXNG-UHFFFAOYSA-N
XLogP0.55
TPSA78.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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(4-amino-1H-pyrazol-5-yl)-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 106313234
2-[4-(4-amino-1H-pyrazole-5-carbonyl)-1,4-diazepan-1-yl]-N,N-dimethylacetamide
CID 63101967
(4-amino-1H-pyrazol-5-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 102954850
(4-amino-5-methyl-1H-pyrazol-3-yl)-(4-tert-butylpiperazin-1-yl)methanone
CID 62083202
(4-amino-1H-pyrazol-5-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 112623776
(4-amino-1H-pyrazol-5-yl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 64583911
(6-aminopyridazin-3-yl)-(4-tert-butylpiperazin-1-yl)methanone
CID 62186658
(4-amino-1H-pyrazol-5-yl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 114796663
(4-amino-1H-pyrazol-5-yl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 63102325
(4-amino-1H-pyrazol-5-yl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone
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Frequently Asked Questions

What is the IUPAC name of (4-amino-1H-pyrazol-5-yl)-(4-tert-butylpiperazin-1-yl)methanone?
The IUPAC name of (4-amino-1H-pyrazol-5-yl)-(4-tert-butylpiperazin-1-yl)methanone (CID 63102700) is (4-amino-1H-pyrazol-5-yl)-(4-tert-butylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-amino-1H-pyrazol-5-yl)-(4-tert-butylpiperazin-1-yl)methanone?
The canonical SMILES for (4-amino-1H-pyrazol-5-yl)-(4-tert-butylpiperazin-1-yl)methanone is CC(C)(C)N1CCN(C(=O)c2[nH]ncc2N)CC1.
What is the InChIKey of (4-amino-1H-pyrazol-5-yl)-(4-tert-butylpiperazin-1-yl)methanone?
The InChIKey is JWMFFPVOIAHXNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-12(2,3)17-6-4-16(5-7-17)11(18)10-9(13)8-14-15-10/h8H,4-7,13H2,1-3H3,(H,14,15).
What are the key properties of (4-amino-1H-pyrazol-5-yl)-(4-tert-butylpiperazin-1-yl)methanone?
(4-amino-1H-pyrazol-5-yl)-(4-tert-butylpiperazin-1-yl)methanone has a molecular weight of 251.33 g/mol, XLogP of 0.55, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1H-pyrazol-5-yl)-(4-tert-butylpiperazin-1-yl)methanone is sourced from PubChem (CID 63102700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).