2-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-4H-pyrazolo[1,5-a]quinazolin-5-one

C19H21N5O2 — CID 135910423

IUPAC2-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-4H-pyrazolo[1,5-a]quinazolin-5-one
SMILESO=C(c1cc2[nH]c(=O)c3ccccc3n2n1)N1CCN(CC2CC2)CC1
InChIInChI=1S/C19H21N5O2/c25-18-14-3-1-2-4-16(14)24-17(20-18)11-15(21-24)19(26)23-9-7-22(8-10-23)12-13-5-6-13/h1-4,11,13H,5-10,12H2,(H,20,25)
InChIKeyJAMHPTRGQYVYBY-UHFFFAOYSA-N
MW351.41 g/mol
LogP1.34
Rot. Bonds3

About 2-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-4H-pyrazolo[1,5-a]quinazolin-5-one

2-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-4H-pyrazolo[1,5-a]quinazolin-5-one (PubChem CID 135910423) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 2-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-4H-pyrazolo[1,5-a]quinazolin-5-one.

Molecular Properties

Compound Name2-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-4H-pyrazolo[1,5-a]quinazolin-5-one
PubChem CID135910423
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name2-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-4H-pyrazolo[1,5-a]quinazolin-5-one
SMILESO=C(c1cc2[nH]c(=O)c3ccccc3n2n1)N1CCN(CC2CC2)CC1
InChIInChI=1S/C19H21N5O2/c25-18-14-3-1-2-4-16(14)24-17(20-18)11-15(21-24)19(26)23-9-7-22(8-10-23)12-13-5-6-13/h1-4,11,13H,5-10,12H2,(H,20,25)
InChIKeyJAMHPTRGQYVYBY-UHFFFAOYSA-N
XLogP1.34
TPSA73.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-4H-pyrazolo[1,5-a]quinazolin-5-one?
The IUPAC name of 2-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-4H-pyrazolo[1,5-a]quinazolin-5-one (CID 135910423) is 2-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-4H-pyrazolo[1,5-a]quinazolin-5-one.
What is the SMILES notation for 2-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-4H-pyrazolo[1,5-a]quinazolin-5-one?
The canonical SMILES for 2-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-4H-pyrazolo[1,5-a]quinazolin-5-one is O=C(c1cc2[nH]c(=O)c3ccccc3n2n1)N1CCN(CC2CC2)CC1.
What is the InChIKey of 2-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-4H-pyrazolo[1,5-a]quinazolin-5-one?
The InChIKey is JAMHPTRGQYVYBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c25-18-14-3-1-2-4-16(14)24-17(20-18)11-15(21-24)19(26)23-9-7-22(8-10-23)12-13-5-6-13/h1-4,11,13H,5-10,12H2,(H,20,25).
What are the key properties of 2-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-4H-pyrazolo[1,5-a]quinazolin-5-one?
2-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-4H-pyrazolo[1,5-a]quinazolin-5-one has a molecular weight of 351.41 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-4H-pyrazolo[1,5-a]quinazolin-5-one is sourced from PubChem (CID 135910423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).