N-[(1,1-dioxothiolan-3-yl)methyl]-5-propylpyrazolo[1,5-a]pyrimidin-7-amine

C14H20N4O2S — CID 70762722

IUPACN-[(1,1-dioxothiolan-3-yl)methyl]-5-propylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCCc1cc(NCC2CCS(=O)(=O)C2)n2nccc2n1
InChIInChI=1S/C14H20N4O2S/c1-2-3-12-8-14(18-13(17-12)4-6-16-18)15-9-11-5-7-21(19,20)10-11/h4,6,8,11,15H,2-3,5,7,9-10H2,1H3
InChIKeyUALBHFYAULEYQX-UHFFFAOYSA-N
MW308.41 g/mol
LogP1.53
Rot. Bonds5

About N-[(1,1-dioxothiolan-3-yl)methyl]-5-propylpyrazolo[1,5-a]pyrimidin-7-amine

N-[(1,1-dioxothiolan-3-yl)methyl]-5-propylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 70762722) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is N-[(1,1-dioxothiolan-3-yl)methyl]-5-propylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[(1,1-dioxothiolan-3-yl)methyl]-5-propylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID70762722
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC NameN-[(1,1-dioxothiolan-3-yl)methyl]-5-propylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCCc1cc(NCC2CCS(=O)(=O)C2)n2nccc2n1
InChIInChI=1S/C14H20N4O2S/c1-2-3-12-8-14(18-13(17-12)4-6-16-18)15-9-11-5-7-21(19,20)10-11/h4,6,8,11,15H,2-3,5,7,9-10H2,1H3
InChIKeyUALBHFYAULEYQX-UHFFFAOYSA-N
XLogP1.53
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-5-propylpyrazolo[1,5-a]pyrimidin-7-amine
CID 95888835
N-[(1,1-dioxothiolan-3-yl)methyl]-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 56890807
trans-(1S,3S)-3-N-(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine
CID 146502890
5-chloro-N-[(1,1-dioxothiolan-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918733
CID 174062770
CID 174062770
N-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-5-ethylpyrazolo[1,5-a]pyrimidin-7-amine
CID 56895664
N-[(1,1-dioxothiolan-3-yl)methyl]-2,6-dimethylpyridin-4-amine
CID 114272163
N-[(1,1-dioxothiolan-3-yl)methyl]-6-hydrazinyl-2-propylpyrimidin-4-amine
CID 80947458
5-N-[(1,1-dioxothiolan-3-yl)methyl]-3-N-propylpyridine-3,5-diamine
CID 104534160
2-N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-4-N-ethylpyrimidine-2,4-diamine
CID 95138074
N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5-propylpyrazolo[1,5-a]pyrimidin-7-amine
CID 70710880
5-propylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
CID 63820617

Frequently Asked Questions

What is the IUPAC name of N-[(1,1-dioxothiolan-3-yl)methyl]-5-propylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[(1,1-dioxothiolan-3-yl)methyl]-5-propylpyrazolo[1,5-a]pyrimidin-7-amine (CID 70762722) is N-[(1,1-dioxothiolan-3-yl)methyl]-5-propylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[(1,1-dioxothiolan-3-yl)methyl]-5-propylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[(1,1-dioxothiolan-3-yl)methyl]-5-propylpyrazolo[1,5-a]pyrimidin-7-amine is CCCc1cc(NCC2CCS(=O)(=O)C2)n2nccc2n1.
What is the InChIKey of N-[(1,1-dioxothiolan-3-yl)methyl]-5-propylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is UALBHFYAULEYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-2-3-12-8-14(18-13(17-12)4-6-16-18)15-9-11-5-7-21(19,20)10-11/h4,6,8,11,15H,2-3,5,7,9-10H2,1H3.
What are the key properties of N-[(1,1-dioxothiolan-3-yl)methyl]-5-propylpyrazolo[1,5-a]pyrimidin-7-amine?
N-[(1,1-dioxothiolan-3-yl)methyl]-5-propylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 308.41 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,1-dioxothiolan-3-yl)methyl]-5-propylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 70762722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).