N-(3-chlorophenyl)-3-[(3-methylimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-amine

C17H17ClN6 — CID 141284055

IUPACN-(3-chlorophenyl)-3-[(3-methylimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-amine
SMILESCN1CNCC1=Cc1cnn2ccc(Nc3cccc(Cl)c3)nc12
InChIInChI=1S/C17H17ClN6/c1-23-11-19-10-15(23)7-12-9-20-24-6-5-16(22-17(12)24)21-14-4-2-3-13(18)8-14/h2-9,19H,10-11H2,1H3,(H,21,22)
InChIKeyNNPVGDWXWRRTKD-UHFFFAOYSA-N
MW340.82 g/mol
LogP2.96
Rot. Bonds3

About N-(3-chlorophenyl)-3-[(3-methylimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-amine

N-(3-chlorophenyl)-3-[(3-methylimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 141284055) has the molecular formula C17H17ClN6 and a molecular weight of 340.82 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-[(3-methylimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-[(3-methylimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-amine
PubChem CID141284055
Molecular FormulaC17H17ClN6
Molecular Weight340.82 g/mol
Exact Mass340.12
IUPAC NameN-(3-chlorophenyl)-3-[(3-methylimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-amine
SMILESCN1CNCC1=Cc1cnn2ccc(Nc3cccc(Cl)c3)nc12
InChIInChI=1S/C17H17ClN6/c1-23-11-19-10-15(23)7-12-9-20-24-6-5-16(22-17(12)24)21-14-4-2-3-13(18)8-14/h2-9,19H,10-11H2,1H3,(H,21,22)
InChIKeyNNPVGDWXWRRTKD-UHFFFAOYSA-N
XLogP2.96
TPSA57.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.82
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(5Z)-5-[[5-(3-chloroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-1-methyl-4-methylideneimidazolidin-2-one
CID 71248313
5-chloropyrazolo[1,5-a]pyrimidine-3-carbaldehyde;5-[3-(4-methylpiperazin-1-yl)anilino]pyrazolo[1,5-a]pyrimidine-3-carbaldehyde
CID 162212911
[3-[5-(3-chloroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]methanol
CID 59662425
(3E)-3-[[5-(4-chloroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidine-2,5-dione
CID 59635518
(4E)-5-methylidene-4-[[5-[3-(4-methylpiperazin-1-yl)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidin-2-one
CID 160731850
N-(3-chlorophenyl)-3-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 59662415
(3E)-3-[[5-(3-chloroanilino)-7-[2-(dimethylamino)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one
CID 157234738
(5Z)-4-methylidene-5-[[5-[3-(2-methylimidazol-1-yl)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-1,3-thiazolidin-2-one
CID 71248308
(5Z)-5-[[5-(4-chloroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-4-methylidene-1,3-thiazolidin-2-one
CID 71248318
5-chloropyrazolo[1,5-a]pyrimidine-3-carbaldehyde;5-[3-(morpholin-4-ylmethyl)anilino]pyrazolo[1,5-a]pyrimidine-3-carbaldehyde
CID 160888360
(3E)-3-[[5-(3-chloroanilino)-7-(piperidin-4-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidine-2,5-dione
CID 58314885
(3E)-3-[[5-(3-chloroanilino)-7-[(3-hydroxy-2,2-dimethylpropyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidine-2,5-dione
CID 58314443

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-[(3-methylimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of N-(3-chlorophenyl)-3-[(3-methylimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-amine (CID 141284055) is N-(3-chlorophenyl)-3-[(3-methylimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for N-(3-chlorophenyl)-3-[(3-methylimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for N-(3-chlorophenyl)-3-[(3-methylimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-amine is CN1CNCC1=Cc1cnn2ccc(Nc3cccc(Cl)c3)nc12.
What is the InChIKey of N-(3-chlorophenyl)-3-[(3-methylimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is NNPVGDWXWRRTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN6/c1-23-11-19-10-15(23)7-12-9-20-24-6-5-16(22-17(12)24)21-14-4-2-3-13(18)8-14/h2-9,19H,10-11H2,1H3,(H,21,22).
What are the key properties of N-(3-chlorophenyl)-3-[(3-methylimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-amine?
N-(3-chlorophenyl)-3-[(3-methylimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 340.82 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-3-[(3-methylimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 141284055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).