(5-amino-1H-pyrazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

C12H15N7O — CID 43159521

IUPAC(5-amino-1H-pyrazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESNc1[nH]ncc1C(=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C12H15N7O/c13-10-9(8-16-17-10)11(20)18-4-6-19(7-5-18)12-14-2-1-3-15-12/h1-3,8H,4-7H2,(H3,13,16,17)
InChIKeyKVXNBRSQOUAPRP-UHFFFAOYSA-N
MW273.30 g/mol
LogP-0.26
Rot. Bonds2

About (5-amino-1H-pyrazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

(5-amino-1H-pyrazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (PubChem CID 43159521) has the molecular formula C12H15N7O and a molecular weight of 273.30 g/mol. Its IUPAC name is (5-amino-1H-pyrazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(5-amino-1H-pyrazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
PubChem CID43159521
Molecular FormulaC12H15N7O
Molecular Weight273.30 g/mol
Exact Mass273.13
IUPAC Name(5-amino-1H-pyrazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESNc1[nH]ncc1C(=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C12H15N7O/c13-10-9(8-16-17-10)11(20)18-4-6-19(7-5-18)12-14-2-1-3-15-12/h1-3,8H,4-7H2,(H3,13,16,17)
InChIKeyKVXNBRSQOUAPRP-UHFFFAOYSA-N
XLogP-0.26
TPSA104.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(5-amino-1H-pyrazol-4-yl)-(1,4-thiazepan-4-yl)methanone
CID 61423629
(5-amino-1H-pyrazol-4-yl)-(4,4-dimethylpiperidin-1-yl)methanone
CID 62932404
1-(5-amino-1H-pyrazole-4-carbonyl)-1,4-diazepan-5-one
CID 63003991
(5-amino-1H-pyrazol-4-yl)-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107405918
(3-amino-2-pyridinyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 104740881
(2-methylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 896524
1,2-bis(4-pyrimidin-2-ylpiperazin-1-yl)ethane-1,2-dione
CID 3412822
(5-amino-1H-pyrazol-4-yl)-(4-ethylpiperidin-1-yl)methanone
CID 61421520
(1-methylpyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 4770499
1,6-naphthyridin-8-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 91949088
5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)thiophene-2-carboxylic acid
CID 22677757
(4,5-dimethyl-1H-pyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 110854966

Frequently Asked Questions

What is the IUPAC name of (5-amino-1H-pyrazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (5-amino-1H-pyrazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (CID 43159521) is (5-amino-1H-pyrazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (5-amino-1H-pyrazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (5-amino-1H-pyrazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is Nc1[nH]ncc1C(=O)N1CCN(c2ncccn2)CC1.
What is the InChIKey of (5-amino-1H-pyrazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The InChIKey is KVXNBRSQOUAPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N7O/c13-10-9(8-16-17-10)11(20)18-4-6-19(7-5-18)12-14-2-1-3-15-12/h1-3,8H,4-7H2,(H3,13,16,17).
What are the key properties of (5-amino-1H-pyrazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
(5-amino-1H-pyrazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone has a molecular weight of 273.30 g/mol, XLogP of -0.26, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-1H-pyrazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 43159521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).