(4-amino-5-methyl-1H-pyrazol-3-yl)-(4-tert-butylpiperazin-1-yl)methanone

C13H23N5O — CID 62083202

IUPAC(4-amino-5-methyl-1H-pyrazol-3-yl)-(4-tert-butylpiperazin-1-yl)methanone
SMILESCc1[nH]nc(C(=O)N2CCN(C(C)(C)C)CC2)c1N
InChIInChI=1S/C13H23N5O/c1-9-10(14)11(16-15-9)12(19)17-5-7-18(8-6-17)13(2,3)4/h5-8,14H2,1-4H3,(H,15,16)
InChIKeyICCVZDZSRMHHDN-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.86
Rot. Bonds1

About (4-amino-5-methyl-1H-pyrazol-3-yl)-(4-tert-butylpiperazin-1-yl)methanone

(4-amino-5-methyl-1H-pyrazol-3-yl)-(4-tert-butylpiperazin-1-yl)methanone (PubChem CID 62083202) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is (4-amino-5-methyl-1H-pyrazol-3-yl)-(4-tert-butylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-5-methyl-1H-pyrazol-3-yl)-(4-tert-butylpiperazin-1-yl)methanone
PubChem CID62083202
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name(4-amino-5-methyl-1H-pyrazol-3-yl)-(4-tert-butylpiperazin-1-yl)methanone
SMILESCc1[nH]nc(C(=O)N2CCN(C(C)(C)C)CC2)c1N
InChIInChI=1S/C13H23N5O/c1-9-10(14)11(16-15-9)12(19)17-5-7-18(8-6-17)13(2,3)4/h5-8,14H2,1-4H3,(H,15,16)
InChIKeyICCVZDZSRMHHDN-UHFFFAOYSA-N
XLogP0.86
TPSA78.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(4-amino-5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]ethanone
CID 55034854
(4-amino-5-methyl-1H-pyrazol-3-yl)-pyrrolidin-1-ylmethanone
CID 62083322
tert-butyl 4-(4-amino-5-methyl-1H-pyrazole-3-carbonyl)-1,4-diazepane-1-carboxylate
CID 104933218
(4-amino-5-methyl-1H-pyrazol-3-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 62081573
4-(4-amino-5-methyl-1H-pyrazole-3-carbonyl)-N,N-dimethylpiperazine-1-sulfonamide
CID 62082114
(4-amino-5-methyl-1H-pyrazol-3-yl)-(3-tert-butylpyrrolidin-1-yl)methanone
CID 113416712
(4-amino-5-methyl-1H-pyrazol-3-yl)-(3-methylpyrrolidin-1-yl)methanone
CID 62081954
(4-amino-5-methyl-1H-pyrazol-3-yl)-(3,4-dimethylpiperazin-1-yl)methanone
CID 63605521
(4-amino-5-methyl-1H-pyrazol-3-yl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone
CID 62083192
(4-amino-5-methyl-1H-pyrazol-3-yl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
CID 62083193
N-[1-(4-amino-5-methyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]cyclopropanecarboxamide
CID 62081242
(4-amino-1H-pyrazol-5-yl)-(4-tert-butylpiperazin-1-yl)methanone
CID 63102700

Frequently Asked Questions

What is the IUPAC name of (4-amino-5-methyl-1H-pyrazol-3-yl)-(4-tert-butylpiperazin-1-yl)methanone?
The IUPAC name of (4-amino-5-methyl-1H-pyrazol-3-yl)-(4-tert-butylpiperazin-1-yl)methanone (CID 62083202) is (4-amino-5-methyl-1H-pyrazol-3-yl)-(4-tert-butylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-amino-5-methyl-1H-pyrazol-3-yl)-(4-tert-butylpiperazin-1-yl)methanone?
The canonical SMILES for (4-amino-5-methyl-1H-pyrazol-3-yl)-(4-tert-butylpiperazin-1-yl)methanone is Cc1[nH]nc(C(=O)N2CCN(C(C)(C)C)CC2)c1N.
What is the InChIKey of (4-amino-5-methyl-1H-pyrazol-3-yl)-(4-tert-butylpiperazin-1-yl)methanone?
The InChIKey is ICCVZDZSRMHHDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-9-10(14)11(16-15-9)12(19)17-5-7-18(8-6-17)13(2,3)4/h5-8,14H2,1-4H3,(H,15,16).
What are the key properties of (4-amino-5-methyl-1H-pyrazol-3-yl)-(4-tert-butylpiperazin-1-yl)methanone?
(4-amino-5-methyl-1H-pyrazol-3-yl)-(4-tert-butylpiperazin-1-yl)methanone has a molecular weight of 265.36 g/mol, XLogP of 0.86, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-5-methyl-1H-pyrazol-3-yl)-(4-tert-butylpiperazin-1-yl)methanone is sourced from PubChem (CID 62083202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).